Chemical Properties of Benzonitrile, m-phenethyl- (CAS 34176-91-5)

Benzonitrile, m-phenethyl-

InChI
InChI=1S/C15H13N/c16-12-15-8-4-7-14(11-15)10-9-13-5-2-1-3-6-13/h1-8,11H,9-10H2
InChI Key
YAGSUWLZZOQMMN-UHFFFAOYSA-N
Formula
C15H13N
SMILES
N#Cc1cccc(CCc2ccccc2)c1
Molecular Weight1
207.27
CAS
34176-91-5
Other Names
  • 3-(2-Phenylethyl)benzonitrile
  • 1-(3-Cyanophenyl)-2-phenylethane
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Physical Properties

Property Value Unit Source
ω 0.5427 Relay (1.0) Calculated Property
ΔfG° 423.79 kJ/mol Joback Calculated Property
ΔfH°gas 291.29 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 23.81 kJ/mol Joback Calculated Property
ΔvapH° 91.80 kJ/mol Relay (1.0) Calculated Property
IE 8.90 ± 0.10 eV NIST
log10WS -4.59 Relay (1.0) Calculated Property
logPoct/wat 3.343 Crippen Calculated Property
McVol 176.070 ml/mol McGowan Calculated Property
Pc 2412.37 kPa Joback Calculated Property
Tboil 613.32 K Relay (1.0) Calculated Property
Tc 880.46 K Relay (1.0) Calculated Property
Tfus 289.00 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [213.10; 529.58] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-4.72580e+01
Coefficient B1.14630e+00
Coefficient C-7.56560e-04
Coefficient D1.87100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 213.10 J/mol×K 273.00 Calculated Property
Cp,gas 271.87 J/mol×K 353.78 Calculated Property
Cp,gas 323.36 J/mol×K 434.56 Calculated Property
Cp,gas 368.16 J/mol×K 515.33 Calculated Property
Cp,gas 406.85 J/mol×K 596.11 Calculated Property
Cp,gas 440.05 J/mol×K 676.89 Calculated Property
Cp,gas 468.32 J/mol×K 757.67 Calculated Property
Cp,gas 492.28 J/mol×K 838.44 Calculated Property
Cp,gas 512.50 J/mol×K 919.22 Calculated Property
Cp,gas 529.58 J/mol×K 1000.00 Calculated Property

Similar Compounds

(2.2)Metacyclophane. 2,2-Metaparacyclophane. Bibenzyl. Pentacyclo[18.2.2.2(9,12).0(4,15).0(6,17)]hexacosa-4,6(17),9,11,15,20,22,23,25-nonane. 2-Methyl[2.2]paracyclophane. Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene, 5,12-dimethyl-. [2.2.2](1,2,4)Cyclophane. L-(4-Fluorophenyl)-2-phenylethane. [2.2.2](1,3,5)Cyclophane. Benzene, 1-bromo-4-(2-phenylethyl)-. Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene, 5,15-dimethyl-. Phenol, 4-(2-phenylethyl)-. Benzene, 1-iodo-4-(2-phenylethyl)-. Benzene, 1,1'-(1,2-ethanediyl)bis[2-methyl-. Pentacyclo[10.4.4.44,9.06,23.015,19]tetracosa-4,6,8,12,14,16,17,21,23-decaene.

Find more compounds similar to Benzonitrile, m-phenethyl-.

Sources

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