Chemical Properties of 3-Hydroxybenzoic acid nitrile (CAS 873-62-1)

3-Hydroxybenzoic acid nitrile

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InChI
InChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H
InChI Key
SGHBRHKBCLLVCI-UHFFFAOYSA-N
Formula
C7H5NO
SMILES
N#Cc1cccc(O)c1
Molecular Weight1
119.12
CAS
873-62-1
Other Names
  • 3-Cyanophenol
  • 3-Hydroxybenzoic acid nitrile
  • 3-Hydroxybenzonitrile
  • Benzonitrile, m-hydroxy-
  • m-Cyanophenol
  • m-Hydroxybenzonitrile
Sources

Physical Properties

Property Value Unit Source
Δf 99.03 kJ/mol Joback Calculated Property
Δfgas 36.29 kJ/mol Joback Calculated Property
Δfus 15.22 kJ/mol Joback Calculated Property
Δvap 56.94 kJ/mol Joback Calculated Property
IE 9.39 ± 0.05 eV NIST
logPoct/wat 1.26 Crippen Calculated Property
Pc 4856.20 kPa Joback Calculated Property
Tboil 568.94 K Joback Calculated Property
Tc 817.38 K Joback Calculated Property
Tfus 371.78 K Joback Calculated Property
Vc 0.31 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 199.90 J/mol×K 568.94 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-OH (phenol) 1
-CN 1
=CH- (ring) 4

Similar Compounds

3,5-Dihydroxybenzonitrile. m-Methoxybenzontrile. 3-OH-benzyl. 3-Me-phenoxy. Phenol, 3-methyl-. 4-Hydroxybenzoic acid nitrile. Benzonitrile, 2-hydroxy-. 3-Ethoxybenzoic acid nitrile. Phenol, 3,5-dimethyl-. 3,5-dihydroxytoluene, monohydrate. 3,5-Dihydroxytoluene. Phenol, 2,5-dimethyl-. Phenol, 3,4-dimethyl-. 1,4-Benzenediol, 2-methyl-. 3-(Trifluoromethoxy)benzonitrile.

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