benzonitrile


benzenecarbonitrile; benzoic nitrile; benzonitrile; cyanobenzene; phenyl cyanide
Links:🌍 Wikipedia, 📏 NIST, ⚗️ ChemSynthesis, 📖 PubMed,
📖Houben-Weyl, 2. Band (Benzonitril); p. 145, 250, 413, 629, 653,
CAS:[100-47-0]
Formula:C7H5N; 103.12 g/mol
InChiKey:JFDZBHWFFUWGJE-UHFFFAOYSA-N
SMILES:N#Cc1ccccc1
Molecular structure of benzonitrile
Density:1.000 g/mL
Molar volume:103.1 mL/mol
Refractive index:1.528
Molecular refractive power:31.75 mL/mol
Dielectric constant:26.00
Dipole moment:4.28 D
Melting point:-13 °C
Boiling point:190 °C
Vapour pressure:0 Torr
Antoine equation
P(Torr) vs T(°C)
Vapour pressure vs temperature
Surface tension:39.52 dyn/cm
Critical temperature:426 °C
Critical pressure:4.2 atm
Log10 partition octanol / water:3.09
Snyder X:Xe: 0.3    Xd: 0.3    Xn: 0.4
Dimroth ET:41.5
Hildebrant solubility parameter (δ):11.1
Immiscible with:
1,2,3-propanetriol,    1,3-propanediol
Miscible with:
1,2-diethoxyethane,    2,4-pentanedione,    2-(2-aminoethylamino)ethanol,    2-amino-2-methyl-1-propanol,    2-ethylhexanol,    3-methyl-1-butanol,    4-hydroxy-4-methylpentan-2-one,    4-methyl-2-pentanone,    N,N-dimethylaniline,    aniline,    benzene,    benzyl alcohol,    butanol,    butyl acetate,    ethanediol,    ethanol,    ethyl benzoate,    furfuryl alcohol,    pyridine,    tetrachloromethane,    tetraethylene glycol dibutyl ether,    triethanolamine

Isomers

benzonitrile
Molecular structure of benzonitrile
2-ethynylpyridine
Molecular structure of 2-ethynylpyridine
3-ethynylpyridine
Molecular structure of 3-ethynylpyridine
isocyanobenzene
Molecular structure of isocyanobenzene