Liquid-liquid equilibrium calculation, phase diagram drawing

This app checks the stability of liquid mixtures (binary or ternary), and calculates the mutual solubilities of the compounds in the separate liquid phases. In binary case the program plots the mutual solubilities in function of temperature, while in ternary case a ternary miscibility phase diagram is constructed (at a given temperature). With the ternary chart the distribution ratio of a distributing component can be estimated.

Compounds to be tested for miscibility

Name of substance	CAS-nr.	Formula	Type of substance
acetone	67-64-1	C3H6O	ketone	y
methanol	67-56-1	CH4O	alcohol	y
dichloromethane	75-09-2	CH2Cl2	halocarbon	y
tetrahydrofuran	109-99-9	C4H8O	ether	y
water	7732-18-5	H2O	water	y
ethanol	64-17-5	C2H6O	alcohol	y
ethyl acetate	141-78-6	C4H8O2	ester	y
toluene	108-88-3	C7H8	aromatic	y
acetic acid	64-19-7	C2H4O2	carboxylic acid	y
isopropanol	67-63-0	C3H8O	alcohol	y
chloroform	67-66-3	CHCl3	hydrocarbon	y
acetonitrile	75-05-8	C2H3N	nitrile	y
1-butanol	71-36-3	C4H10O	alcohol	y
n-hexane	110-54-3	C6H14	hydrocarbon	y
methyl acetate	79-20-9	C3H6O2	ester	y
cyclohexane	110-82-7	C6H12	hydrocarbon	y
n-pentane	109-66-0	C5H12	hydrocarbon	y
n-heptane	142-82-5	C7H16	hydrocarbon	y
acetaldehyde	75-07-0	C2H4O	aldehyde	y
n-octane	111-65-9	C8H18	hydrocarbon	y
n-nonane	111-84-2	C9H20	hydrocarbon	y
n-decane	124-18-5	C10H22	hydrocarbon	y
n-undecane	1120-21-4	C11H24	hydrocarbon	y
n-dodecane	112-40-3	C12H26	hydrocarbon	y
i-pentane	78-78-4	C5H12	hydrocarbon	y
neo-pentane	463-82-1	C5H12	hydrocarbon	y
i-hexane	107-83-5	C6H14	hydrocarbon	y
2,3-dimethyl-butane	79-29-8	C6H14	hydrocarbon	y
2,2-dimethyl-butane	75-83-2	C6H14	hydrocarbon	y
2,2,3-trimethyl-butane	464-06-2	C7H16	hydrocarbon	y
2,2,3-trimethyl-pentane	564-02-3	C8H18	hydrocarbon	y
2,3,4-trimethyl-pentane	565-75-3	C8H18	hydrocarbon	y
cyclopentane	287-92-3	C5H10	hydrocarbon	y
cycloheptane	291-64-5	C7H14	hydrocarbon	y
cyclooctane	292-64-8	C8H16	hydrocarbon	y
methyl-cyclopentane	96-37-7	C6H12	hydrocarbon	y
ethyl-cyclopentane	1640-89-7	C7H14	hydrocarbon	y
methyl-cyclohexane	108-87-2	C7H14	hydrocarbon	y
ethyl-cyclohexane	1678-91-7	C8H16	hydrocarbon	y
octadecane	593-45-3	C18H38	hydrocarbon	y
isopropyl-cyclohexane	696-29-7	C9H18	hydrocarbon	y
2-methyl-hexane	591-76-4	C7H16	hydrocarbon	y
3-methyl-hexane	589-34-4	C7H16	hydrocarbon	y
1-pentene	109-67-1	C5H10	hydrocarbon	y
2-pentene (cis)	627-20-3	C5H10	hydrocarbon	y
2-pentene (trans)	646-04-8	C5H10	hydrocarbon	y
1-hexene	592-41-6	C6H12	hydrocarbon	y
1-heptene	592-76-7	C7H14	hydrocarbon	y
1-oktene	111-66-0	C8H16	hydrocarbon	y
1-nonene	124-11-8	C9H18	hydrocarbon	y
1-decene	872-05-9	C10H20	hydrocarbon	y
1-undecene	821-95-4	C11H22	hydrocarbon	y
1-dodecene	112-41-4	C12H24	hydrocarbon	y
2-methyl-1-butene	563-46-2	C5H10	hydrocarbon	y
3-methyl-1-butene	563-45-1	C5H10	hydrocarbon	y
isobutylene	115-11-7	C4H8	hydrocarbon	y
butadiene	106-99-0	C4H6	hydrocarbon	y
hexadiene	592-48-3	C6H10	hydrocarbon	y
isoprene	78-79-5	C5H8	hydrocarbon	y
benzene	71-43-2	C6H6	aromatic	y
ethyl benzene	100-41-4	C8H10	aromatic	y
cumene	98-82-8	C9H12	aromatic	y
n-butyl-benzene	104-51-8	C10H14	aromatic	y
iso-butyl-benzene	538-93-2	C10H14	aromatic	y
tert-butyl-benzene	98-06-6	C10H14	aromatic	y
o-xylene	95-47-6	C8H10	aromatic	y
m-xylene	108-38-3	C8H10	aromatic	y
p-xylene	106-42-3	C8H10	aromatic	y
n-propyl benzene	103-65-1	C9H12	aromatic	y
o-methyl ethyl benzene	611-14-3	C9H12	aromatic	y
m-methyl ethyl benzene	620-14-4	C9H12	aromatic	y
p-methyl ethyl benzene	622-96-8	C9H12	aromatic	y
naphthalene	91-20-3	C10H8	aromatic	y
alpha-methyl naphthalene	90-12-0	C11H10	aromatic	y
beta-methyl naphthalene	91-57-6	C11H10	aromatic	y
alpha-ethyl naphthalene	1127-76-0	C12H12	aromatic	y
beta-ethyl naphthalene	939-27-5	C12H12	aromatic	y
styrene	100-42-5	C8H8	aromatic	y
anthracene	120-12-7	C14H10	aromatic	y
phenanthrene	85-01-8	C14H10	aromatic	y
diphenyl	92-52-4	C12H10	aromatic	y
1,2,3-trimethyl benzene	526-73-8	C9H12	aromatic	y
1,2,4-trimethyl benzene	95-63-6	C9H12	aromatic	y
diphenyl methane	101-81-5	C13H12	aromatic	y
sec-butyl benzene	135-98-8	C10H14	aromatic	y
o-diethyl benzene	135-01-3	C10H14	aromatic	y
m-diethyl benzene	141-93-5	C10H14	aromatic	y
p-diethyl benzene	105-05-5	C10H14	aromatic	y
tetraline	119-64-2	C10H12	aromatic	y
n-propanol	71-23-8	C3H8O	alcohol	y
sec-butanol	78-92-2	C4H10O	alcohol	y
iso-butanol	78-83-1	C4H10O	alcohol	y
tert-butanol	75-65-0	C4H10O	alcohol	y
n-pentanol	71-41-0	C5H12O	alcohol	y
n-hexanol	111-27-3	C6H14O	alcohol	y
n-heptanol	111-70-6	C7H16O	alcohol	y
n-octanol	111-87-5	C8H18O	alcohol	y
n-nonanol	143-08-8	C9H20O	alcohol	y
n-decanol	112-30-1	C10H22O	alcohol	y
n-dodecanol	112-53-8	C12H26O	alcohol	y
n-octadecanol	112-92-5	C18H38O	alcohol	y
ethylene glycol	107-21-1	C2H6O2	alcohol	y
propylene glycol	57-55-6	C3H8O2	alcohol	y
glycerol	56-81-5	C3H8O3	alcohol	y
cyclohexanol	108-93-0	C6H12O	alcohol	y
allyl alcohol	107-18-6	C3H6O	alcohol	y
n-propyl acetate	109-60-4	C5H10O2	ester	y
iso-propyl acetate	108-21-4	C5H10O2	ester	y
n-butyl acetate	123-86-4	C6H12O2	ester	y
sec-butyl acetate	105-46-4	C6H12O2	ester	y
iso-butyl acetate	110-19-0	C6H12O2	ester	y
tert-butyl acetate	540-88-5	C6H12O2	ester	y
methyl propionate	554-12-1	C4H8O2	ester	y
ethyl propionate	105-37-3	C5H10O2	ester	y
propyl propionate	106-36-5	C6H12O2	ester	y
methyl butirate	623-42-7	C5H10O2	ester	y
ethyl n-butirate	105-54-4	C6H12O2	ester	y
propyl butirate	105-66-8	C7H14O2	ester	y
vinyl acetate	108-05-4	C4H6O2	ester	y
methyl-ethyl ketone	78-93-3	C4H8O	ketone	y
methyl-n-propyl ketone	107-87-9	C5H10O	ketone	y
methyl-iso-propyl ketone	563-80-4	C5H10O	ketone	y
diethyl ketone	96-22-0	C5H10O	ketone	y
methyl-n-butyl ketone	591-78-6	C6H12O	ketone	y
methyl-iso-butyl ketone	108-10-1	C6H12O	ketone	y
cyclopentanone	120-92-3	C5H8O	ketone	y
cyclohexanone	108-94-1	C6H10O	ketone	y
cycloheptanone	502-42-1	C7H12O	ketone	y
methyl-phenyl ketone	98-86-2	C8H8O	ketone, aromatic	y
dimethyl ether	115-10-6	C2H6O	ether	y
methyl-ethyl ether	540-67-0	C3H8O	ether	y
diethyl ether	60-29-7	C4H10O	ether	y
ethyl-n-propyl ether	628-32-0	C5H12O	ether	y
di-n-propyl ether	111-43-3	C6H14O	ether	y
di-isopropyl ether	108-20-3	C6H14O	ether	y
di-n-butyl ether	142-96-1	C8H16O	ether	y
tetrahydro pyran	142-68-7	C5H10O	ether	y
1,4-dioxane	123-91-1	C4H8O2	ether	y
1,3-dioxane	505-22-6	C4H8O2	ether	y
trioxane	110-88-3	C3H6O3	ether	y
ethylene glycol dimethyl ether	110-71-4	C4H10O2	ether	y
ethylene glycol diethyl ether	629-14-1	C6H14O2	ether	y
1,3-dioxolane	646-06-0	C3H6O2	ether	y
methyl-tert-butyl ether	1634-04-4	C5H13O	ether	y
diphenyl ether	101-84-8	C12H10O	aromatic, ether	y
anisole	100-66-3	C7H8O	ether, aromatic	y
phenetole	103-73-1	C8H10O	ether, aromatic	y
veratrol	91-16-7	C8H11O2	ether, aromatic	y
methyl vinyl ether	107-25-5	C3H6O	ether	y
formaldehyde	50-00-0	CH2O	aldehyde	y
n-propanal	123-38-6	C3H6O	aldehyde	y
n-butanal	123-72-8	C4H8O	aldehyde	y
i-butanal	78-84-2	C4H8O	aldehyde	y
n-pentanal	110-62-3	C5H10O	aldehyde	y
n-hexanal	66-25-1	C6H12O	aldehyde	y
glyceraldehyde	367-47-5	C3H6O3	alcohol, aldehyde	y
benzaldehyde	100-52-7	C7H6O	aromatic, aldehyde	y
glycolic aldehyde	141-46-8	C2H4O2	alcohol, aldehyde	y
succinic aldehyde	638-37-9	C4H6O2	aldehyde	y
acetyl acetone	123-54-6	C5H8O2	ketone	y
acrolein	107-02-8	C3H4O	aldehyde	y
methyl glyoxal	78-98-8	C3H4O2	ketone, aldehyde	y
biacetyl	431-03-8	C4H6O2	ketone	y
p-anisaldehyde	123-11-5	C8H8O2	ether, aromatic, aldehyde	y
m-anisaldehyde	22924-15-8	C8H8O2	ether, aromatic, aldehyde	y
n-propionitrile	107-12-0	C3H5N	nitrile	y
n-butironitrile	109-74-0	C4H7N	nitrile	y
ethyl chloride	75-00-3	C2H5Cl	halocarbon	y
1,1-dichloro ethane	75-34-3	C2H4Cl2	halocarbon	y
1,2-dichloro ethane	107-06-2	C2H4Cl2	halocarbon	y
1,1,2-trichloro ethane	79-00-5	C2H3Cl3	halocarbon	y
vinyl chloride	75-01-4	C2H3Cl	halocarbon	y
1,1-dichloro ethylene	75-35-4	C2H2Cl2	halocarbon	y
1,2-dichloro ethylene (cis)	156-59-2	C2H2Cl2	halocarbon	y
1,2-dichloro ethylene (trans)	156-60-5	C2H2Cl2	halocarbon	y
trichloro ethylene	79-01-6	C2HCl3	halocarbon	y
tetrachloro ethylene	127-18-4	C2Cl4	halocarbon	y
n-propyl chloride	540-54-5	C3H7Cl	halocarbon	y
isopropyl chloride	75-29-6	C3H7Cl	halocarbon	y
1,1-dichloro propane	78-99-9	C3H6Cl2	halocarbon	y
1,2-dichloro propane	78-87-5	C3H6Cl2	halocarbon	y
n-butyl chloride	109-69-3	C4H9Cl	halocarbon	y
sec-butyl chloride	78-86-4	C4H9Cl	halocarbon	y
iso-butyl chloride	513-36-0	C4H9Cl	halocarbon	y
tert-butyl chloride	507-20-0	C4H9Cl	halocarbon	y
n-pentyl chloride	543-59-9	C5H11Cl	halocarbon	y
n-hexyl chloride	544-10-5	C6H13Cl	halocarbon	y
benzyl chloride	100-44-7	C7H7Cl	aromatic, halocarbon	y
ethoxy ethanol	110-80-5	C4H10O2	ether-alcohol	y
methoxyethanol	109-86-4	C3H8O2	ether-alcohol	y
methoxypropanol	1320-67-8	C4H10O2	ether, alcohol	y
diethylene glycol	111-46-6	C4H10O3	alcohol, ether-alcohol	y
triethylene glycol	112-27-6	C6H14O4	ether-alcohol	y
di-1,2-propylene glycol (s,s)	110-98-5	C6H14O3	alcohol, ether-alcohol	y
di-1,2-propylene glycol (s,p)	106-62-7	C6H14O3	alcohol, ether-alcohol	y
butoxyethanol	111-76-2	C6H14O2	ether-alcohol	y
tetraethylene glycol	112-60-7	C8H18O4	ether-alcohol, ether	y
iso-pentanol	123-51-3	C5H12O	alcohol	y
sec-pentanol	584-02-1	C5H12O	alcohol	y
phenylethanol	60-12-8	C8H10O	aromatic, alcohol	y
1,4-butanediol	110-63-4	C4H10O2	alcohol	y
1,5-pentanediol	111-29-5	C5H12O2	alcohol	y
neopentyl glycol	126-30-7	C5H12O2	alcohol	y
hexylene glycol	107-41-5	C6H14O2	alcohol	y
tripropylene glycol	1638-16-0	C9H20O4	ether-alcohol	y
diacetone alcohol	123-42-2	C6H12O2	ketone, alcohol	y
propanoic acid	79-09-4	C3H6O2	carboxylic acid	y
n-butanoic acid	107-92-6	C4H8O2	carboxylic acid	y
iso-butanoic-acid	79-31-2	C4H8O2	carboxylic acid	y
n-pentanoic acid	109-52-4	C5H10O2	carboxylic acid	y
n-hexanoic acid	142-62-1	C6H12O2	carboxylic acid	y
benzoic acid	65-85-0	C7H6O2	aromatic, carboxylic acid	y
phenyl acetic acid	103-82-2	C8H8O2	aromatic, carboxylic acid	y
n-decanoic-acid	334-48-5	C10H20O2	carboxylic acid	y
stearic acid	57-11-4	C18H36O2	carboxylic acid	y
palmitic acid	57-10-3	C16H32O2	carboxylic acid	y
oleic acid	112-80-1	C18H34O2	carboxylic acid	y
glycolic acid	79-14-1	C2H4O3	alcohol, carboxylic acid	y
aspirin	50-78-2	C9H8O4	ester, aromatic, carboxylic acid	y
oxalic acid	144-62-7	C2H2O4	carboxylic acid	y
malonic acid	141-82-2	C3H4O4	carboxylic acid	y
succinic acid	110-15-6	C4H6O4	carboxylic acid	y
citric acid	77-92-9	C6H8O7	carboxylic acid, alcohol	y
lactic acid	50-21-5	C3H6O3	alcohol, carboxylic acid	y
acrilyc acid	79-10-7	C3H4O2	carboxylic acid	y
malic acid	6915-15-7	C4H6O5	carboxylic acid, alcohol	y
tartaric acid	133-37-9	C4H6O6	carboxylic acid, alcohol	y
n-tetradecane	629-59-4	C14H30	hydrocarbon	y
limonene	138-86-3	C10H16	hydrocarbon	y
Cyclohexene	110-83-8	C6H10	hydrocarbon	y
Ibuprofen	15687-27-1	C13H18O2	aromatic, carboxylic acid	y
Isooctane	540-84-1	C8H18	hydrocarbon	y
Menthol	89-78-1	C10H20O	alcohol	y
Benzyl Alcohol	100-51-6	C7H8O	aromatic, alcohol	y
Methyl Benzoate	93-58-3	C8H8O2	aromatic, ester	y
Cinnamaldehyde	104-55-2	C9H8O	aromatic, aldehyde	y
Citral	5392-40-5	C10H16O	aldehyde	y
Methyl stearate	112-61-8	C19H38O2	ester	y
2-Methyl tetrahydrofuran	96-47-9	C5H10O	ether	y
Diethylene glycol dimethyl ether	111-96-6	C6H14O3	ether	y
Carbon Dioxide	124-38-9	CO2	inorganic gas	y
Carbon monoxide	630-08-0	CO	inorganic gas	y
Hydrogen	1333-74-0	H2	inorganic gas	y
Methane	74-82-8	CH4	hydrocarbon	y
Ethane	74-84-0	C2H6	hydrocarbon	y
Propane	74-98-6	C3H8	hydrocarbon	y
Butane	106-97-8	C4H10	hydrocarbon	y
Ethylene	74-85-1	C2H4	hydrocarbon	y
Propene	115-07-1	C3H6	hydrocarbon	y
But-1-ene	106-98-9	C4H8	hydrocarbon	y
trans-2-butene	624-64-6	C4H8	hydrocarbon	y
cis-2-butene	590-18-1	C4H8	hydrocarbon	y
Acetylene	74-86-2	C2H2	hydrocarbon	y
Oxygen	7782-44-7	O2	inorganic gas	y
Nitrogene	7727-37-9	N2	inorganic gas	y
Ammonia	7664-41-7	NH3	inorganic gas	y
Helium	7440-59-7	He	noble gas	y
Neon	7440-01-9	Ne	noble gas	y
Argon	7440-37-1	Ar	noble gas	y
Xenon	7440-63-3	Xe	noble gas	y
Krypton	7439-90-9	Kr	noble gas	y
Fluorine	7782-41-4	F2	halogene gas	y
Chlorine	7782-50-5	Cl2	halogene gas	y
Bromine	7726-95-6	Br2	halogene	y
Iodine	7553-56-2	I2	halogene	y
Sulfur dioxide	7446-09-5	SO2	inorganic gas	y
Ozone	10028-15-6	O3	inorganic gas	y
Hydrogen cyanide	74-90-8	HCN	inorganic gas	y
Nitrogene dioxide	10102-44-0	NO2	inorganic gas	y
Nitrogen oxide	10102-43-9	NO	inorganic gas	y
hydrogen fluoride	7664-39-3	HF	inorganic gas	y
hydrogen chloride	7647-01-0	HCl	inorganic gas	y
hydrogen bromide	10035-10-6	HBr	inorganic gas	y
hydrogen iodide	10034-85-2	HI	inorganic gas	y
N-Methyl Pyrrolidone	872-50-4	C5H9NO	amine	y
Methyl Methacrylate	80-62-6	C5H8O2	ester	y
Glycidol	556-52-5	C3H6O2	epoxide, alcohol	y
Methylamine	74-89-5	CH5N	amine	y
Dimethylamine	124-40-3	C2H7N	amine	y
Trimethylamine	75-50-3	C3H9N	amine	y
Ethylamine	75-04-7	C2H7N	amine	y
Methyl-ethyl-amine	75-31-0	C3H9N	amine	y
Diethylamine	109-89-7	C4H11N	amine	y
Triethylamine	121-44-8	C6H15N	amine	y
Propylamine	107-10-8	C3H9N	amine	y
Butylamine	109-73-9	C4H11N	amine	y
Isobutylamine	78-81-9	C4H11N	amine	y
Octylamine	111-86-4	C8H19N	amine	y
Dibutylamine	111-92-2	C8H19N	amine	y
Diisopropylamine	108-18-9	C6H15N	amine	y
Diisopropyl-ethyl-amine	7087-68-5	C8H19N	amine	y
Cyclohexylamine	108-91-8	C6H13N	amine	y
Ethylene diamine	2034-68-6	C2H8N2	amine	y
Ethanolamine	141-43-5	C2H7NO	alcohol, amine	y
Diethanolamine	111-42-2	C4H11NO2	alcohol, amine	y
Triethanolamine	102-71-6	C6H15NO3	alcohol, amine	y
2-methylaminoethanol	109-83-1	C3H9NO	amine, alcohol	y
m-Chloroaniline	108-42-9	C6H6ClN	amine, aromatic, halocarbon	y
p-Chloroaniline	106-47-8	C6H6ClN	amine, aromatic, halocarbon	y
o-Chloroaniline	95-51-2	C6H6ClN	amine, aromatic, halocarbon	y
o-Nitroaniline	88-74-4	C6H6N2O2	amine, aromatic, nitro compound	y
m-Nitroaniline	99-09-2	C6H6N2O2	amine, aromatic, nitro compound	y
p-Nitroaniline	100-01-6	C6H6N2O2	amine, aromatic, nitro compound	y
Aniline	62-53-3	C6H7N	amine, aromatic	y
N-Methylaniline	100-61-8	C7H9N	amine, aromatic	y
N,N-Dimethylaniline	121-69-7	C8H11N	amine, aromatic	y
o-Toluidine	95-53-4	C7H9N	amine, aromatic	y
m-Toluidine	108-44-1	C7H9N	amine, aromatic	y
p-Toluidine	106-49-0	C7H9N	amine, aromatic	y
1-Naphthylamine	134-32-7	C10H9N	amine, aromatic	y
2-Naphthylamine	91-59-8	C10H9N	amine, aromatic	y
Benzylamine	100-46-9	C7H9N	amine, aromatic	y
4-Dimethylaminopyridine	1122-58-3	C7H10N2	amine, heterocycle	y
Nitrobenzene	98-95-3	C6H5NO2	nitro compound, aromatic	y
o-Nitrotoluene	88-72-2	C7H7NO2	nitro compound, aromatic	y
m-Nitrotoluene	99-08-1	C7H7NO2	nitro compound, aromatic	y
p-Nitrotoluene	99-99-0	C7H7NO2	nitro compound, aromatic	y
Nitromethane	75-52-5	CH3NO2	nitro compound	y
Nitroethane	79-24-3	C2H5NO2	nitro compound	y
o-Nitrophenol	88-75-5	C6H5NO3	nitro compound, aromatic, alcohol	y
m-Nitrophenol	554-84-7	C6H5NO3	nitro compound, aromatic, alcohol	y
p-Nitrophenol	100-02-7	C6H5NO3	nitro compound, aromatic, alcohol	y
Pyridine	110-86-1	C5H5N	heterocycle	y
2-methylpyridine	109-06-8	C6H7N	heterocycle	y
3-methylpyridine	108-99-6	C6H7N	heterocycle	y
4-methylpyridine	108-89-4	C6H7N	heterocycle	y
2,4-Dimethylpyridine	108-47-4	C7H9N	heterocycle	y
3,5-Dimethylpyridine	591-22-0	C7H9N	heterocycle	y
3,4-Dimethylpyridine	583-58-4	C7H9N	heterocycle	y
2,3-Dimethylpyridine	583-61-9	C7H9N	heterocycle	y
2,5-Dimethylpyridine	589-93-5	C7H9N	heterocycle	y
2,6-Dimethylpyridine	108-48-5	C7H9N	heterocycle	y
pyrrolidine	123-75-1	C4H9N	amine	y
pyrazolidine	504-70-1	C3H8N2	amine	y
Piperidine	110-89-4	C5H11N	amine	y
Piperazine	110-85-0	C4H10N2	amine	y
Dimethyl sulfoxide	67-68-5	C2H6SO	sulphur-compound	y
Methyl formate	107-31-3	C2H4O2	ester	y
1,3,5-trimethyl benzene	108-67-8	C9H12	aromatic	y
Dimethoxy methane	109-87-5	C3H8O2	ether	y
Dimethyl carbonate	616-38-6	C3H6O3	ether, ester	y
Ethyl-tert-butyl-ether	637-92-3	C6H14O	ether	y
2-Nitropropane	79-46-9	C3H7NO2	nitro compound	y

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