Chemical Properties of Cyclohexanecarbonitrile (CAS 766-05-2)

Cyclohexanecarbonitrile

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InChI
InChI=1S/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H2
InChI Key
VBWIZSYFQSOUFQ-UHFFFAOYSA-N
Formula
C7H11N
SMILES
N#CC1CCCCC1
Molecular Weight1
109.17
CAS
766-05-2
Other Names
  • Cyanocyclohexane
  • Cyclohexanecarboxylic acid nitrile
  • Cyclohexyl cyanide
  • Hexahydrobenzonitrile
Sources

Physical Properties

Property Value Unit Source
PAff 815.00 kJ/mol NIST
BasG 784.40 kJ/mol NIST
Δcliquid -4279.48 ± 0.50 kJ/mol NIST
Δcliquid -4267.60 ± 2.30 kJ/mol NIST
Δf 165.69 kJ/mol Joback Calculated Property
Δfgas -3.60 kJ/mol NIST
Δfgas -7.24 kJ/mol NIST
Δfliquid -47.20 kJ/mol NIST
Δfliquid -59.12 kJ/mol NIST
Δfus 7.23 kJ/mol Joback Calculated Property
Δvap [43.60; 51.92] kJ/mol Show Hide
Δvap 51.92 kJ/mol NIST
Δvap 43.60 kJ/mol NIST
Δvap 43.60 kJ/mol NIST
Δvap 51.90 ± 0.20 kJ/mol NIST
Δvap 51.90 kJ/mol NIST
Δvap 51.90 ± 0.10 kJ/mol NIST
logPoct/wat 2.09 Crippen Calculated Property
Pc 3419.86 kPa Joback Calculated Property
Tboil 461.40 ± 0.20 K NIST
Tboil 355.00 ± 2.00 K NIST
Tc 708.27 K Joback Calculated Property
Tfus 285.20 ± 0.20 K NIST
Vc 0.39 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 211.28 J/mol×K 481.19 Joback Calculated Property
Cp,liquid 177.90 J/mol×K 297.0 NIST
ΔfusH 7.43 kJ/mol 215.0 NIST
ΔfusH 3.64 kJ/mol 285.1 NIST
ΔvapH 39.40 kJ/mol 380.0 NIST
ΔfusS 34.53 J/mol×K 215.0 NIST
ΔfusS 12.75 J/mol×K 285.1 NIST

Molecular Descriptors

Joback and Reid Groups
-CN 1
>CH- (ring) 1
-CH2- (ring) 5

Similar Compounds

trans-1,4-Cyclohexanedicarbonitrile. Cis-1,4-cyclohexane-dicarbonitrile. Cycloheptyl cyanide. 1,22,26-Trimethyl-octacosyl cyanide. Heptanenitrile, 3-ethyl-. Hexanenitrile, 2-methyl. 2,28-Dimethyl-triacontyl cyanide. n-Pentylmalononitrile. Hexanenitrile, 3-methyl-. 18,22-Dimethyl-hentriacontyl cyanide. 20,28-Dimethyl-triacontyl cyanide. 18,22-Dimethyl-tetratriacontyl cyanide. 18,22,26-Trimethyl-nonacosyl cyanide. 16,20,24,28-Tetramethyl-dotriacontyl cyanide. 16,20-Dimethyl-dotriacontyl cyanide.

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