Input interpretation
acrylonitrile | 1, 3-butadiene
Chemical names and formulas
| acrylonitrile | 1, 3-butadiene formula | CH_2=CHCN | CH_2=CHCH=CH_2 Hill formula | C_3H_3N | C_4H_6 name | acrylonitrile | 1, 3-butadiene IUPAC name | prop-2-enenitrile | buta-1, 3-diene alternate names | 2-propenenitrile | cyanoethylene | prop-2-enenitrile | propenenitrile | vinyl cyanide | biethylene | bivinyl | buta-1, 3-diene | divinyl | erythrene | vinylethylene mass fractions | C (carbon) 67.9% | H (hydrogen) 5.7% | N (nitrogen) 26.4% | C (carbon) 88.8% | H (hydrogen) 11.2%
Structure diagrams
| acrylonitrile | 1, 3-butadiene vertex count | 4 | 4 edge count | 3 | 3 Schultz index | 38 | 38 Wiener index | 10 | 10 Hosoya index | 5 | 5 Balaban index | 1.975 | 1.975
3D structure
3D structure
Basic properties
| acrylonitrile | 1, 3-butadiene molar mass | 53.064 g/mol | 54.09 g/mol phase | liquid (at STP) | gas (at STP) melting point | -83 °C | -109 °C boiling point | 77 °C | -4.5 °C density | 0.7951 g/cm^3 | 0.62 g/cm^3 solubility in water | | insoluble
Units
Gas properties
| 1, 3-butadiene density | 0.62 g/cm^3 vapor density | 1.9 molar volume | 87.25 cm^3/mol surface tension | 0.0134 N/m refractive index | 1.4223 dynamic viscosity | 7.54×10^-6 Pa s
Units
Liquid properties
| acrylonitrile density | 0.7951 g/cm^3 vapor pressure | 85.99 mmHg dynamic viscosity | 3.4×10^-4 Pa s surface tension | 0.0273 N/m refractive index | 1.391
Units
Thermodynamic properties
| acrylonitrile | 1, 3-butadiene molar heat of vaporization | 31.8 kJ/mol (kilojoules per mole) | 21.2 kJ/mol (kilojoules per mole) specific heat of vaporization | 0.599 kJ/g (kilojoules per gram) | 0.392 kJ/g (kilojoules per gram) molar heat of combustion | 1718 kJ/mol (kilojoules per mole) | 2545 kJ/mol (kilojoules per mole) specific heat of combustion | 32.38 kJ/g (kilojoules per gram) | 47.05 kJ/g (kilojoules per gram) molar heat of fusion | 6.23 kJ/mol (kilojoules per mole) | 7.98 kJ/mol (kilojoules per mole) specific heat of fusion | 0.117 kJ/g (kilojoules per gram) | 0.148 kJ/g (kilojoules per gram) critical temperature | 540 K (kelvins) | 425 K (kelvins) critical pressure | 4.66 MPa (megapascals) | 4.33 MPa (megapascals) compressibility factor | | 0.27 (at critical conditions) acentric factor ω | 0.3 | 0.193 Antoine equation constants | 14.2095 | 3033.1 | -34.9326 | 14.0719 | 2280.96 | -27.5956
Chemical identifiers
| acrylonitrile | 1, 3-butadiene CAS number | 107-13-1 | 106-99-0 Beilstein number | 605310 | 605258 PubChem CID number | 7855 | 7845 PubChem SID number | 24846969 | 24857754 SMILES identifier | C=CC#N | C=CC=C InChI identifier | InChI=1/C3H3N/c1-2-3-4/h2H, 1H2 | InChI=1/C4H6/c1-3-4-2/h3-4H, 1-2H2 RTECS number | AT5250000 | EI9275000 MDL number | MFCD00001927 | MFCD00008659
NFPA label
NFPA label
| acrylonitrile | 1, 3-butadiene NFPA health rating | 4 | 2 NFPA fire rating | 3 | 4 NFPA reactivity rating | 2 | 2