Chemical Properties of 1-Phenylcyclopentanenitrile (CAS 77-57-6)

1-Phenylcyclopentanenitrile

InChI
InChI=1S/C12H13N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2
InChI Key
GDXMFFGTPGAGGX-UHFFFAOYSA-N
Formula
C12H13N
SMILES
N#CC1(c2ccccc2)CCCC1
Molecular Weight1
171.24
CAS
77-57-6
Other Names
  • 1-Phenyl-1-cyclopentanecarbonitrile
  • Cyclopentanecarbonitrile, 1-phenyl-
  • 1-Phenylcyclopentanecarbonitrile
  • 1-phenylcyclohexanecarbonitrile
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Physical Properties

Property Value Unit Source
ω 0.3910 Relay (1.0) Calculated Property
ΔfG° 326.81 kJ/mol Joback Calculated Property
ΔfH°gas 196.95 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 10.02 kJ/mol Joback Calculated Property
ΔvapH° 68.32 kJ/mol Relay (1.0) Calculated Property
IE 8.84 eV Relay (1.0) Calculated Property
log10WS -3.98 Relay (1.0) Calculated Property
logPoct/wat 3.022 Crippen Calculated Property
McVol 146.700 ml/mol McGowan Calculated Property
Pc 2956.90 kPa Joback Calculated Property
Tboil 559.06 K Relay (1.0) Calculated Property
Tc 796.30 K Relay (1.0) Calculated Property
Tfus 376.86 K Relay (1.0) Calculated Property
Vc 0.511 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [367.17; 450.39] J/mol×K [618.24; 876.13] Show Hide
Cp,gas 367.17 J/mol×K 618.24 Joback Calculated Property
Cp,gas 383.23 J/mol×K 661.22 Joback Calculated Property
Cp,gas 398.10 J/mol×K 704.20 Joback Calculated Property
Cp,gas 412.02 J/mol×K 747.18 Joback Calculated Property
Cp,gas 425.22 J/mol×K 790.17 Joback Calculated Property
Cp,gas 437.93 J/mol×K 833.15 Joback Calculated Property
Cp,gas 450.39 J/mol×K 876.13 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 411.70 K 1.30 NIST

Similar Compounds

1,3,5-Pentanetricarbonitrile, 3-phenyl. Cyclobutanecarbonitrile, 1-phenyl-. Butyronitrile, 2-ethyl-2-phenyl-. Pentadecane, 2-methyl-2-phenyl-. Tridecane, 2-methyl-2-phenyl-. Benzene, (1,1-dimethyldecyl)-. Benzene, (1,1-dimethylnonyl)-. Benzene, (1,1-dimethylbutyl)-. Octane, 3,6-dimethyl-3,6-diphenyl. Tricyclo[3.3.1.1(3,7)]decane, 1-phenyl-. Phenol, 4-(1-methyl-1-propylpentyl). 4(1,1-Dimethylhexyl)phenol. Propane, 2-cyclohexyl-2-phenyl-. Phenol, 4-(1-ethyl-1-methylhexyl). Phenol, 4-(1,1-diethylpentyl).

Find more compounds similar to 1-Phenylcyclopentanenitrile.

Sources

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