Chemical Properties of Cyclopropanecarbonitrile, 1-(p-nitrophenyl)-2-phenyl-

Cyclopropanecarbonitrile, 1-(p-nitrophenyl)-2-phenyl-

InChI
InChI=1S/C16H12N2O2/c17-11-16(10-15(16)12-4-2-1-3-5-12)13-6-8-14(9-7-13)18(19)20/h1-9,15H,10H2
InChI Key
AVYTZYMHDAMJRD-UHFFFAOYSA-N
Formula
C16H12N2O2
SMILES
N#CC1(c2ccc([N+](=O)[O-])cc2)CC1c1ccccc1
Molecular Weight1
264.28
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Physical Properties

Property Value Unit Source
ΔfH°gas 370.43 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.66 kJ/mol Joback Calculated Property
ΔvapH° 106.60 kJ/mol Relay (1.0) Calculated Property
IE 9.05 ± 0.10 eV NIST
log10WS -5.12 Relay (1.0) Calculated Property
logPoct/wat 3.544 Crippen Calculated Property
McVol 196.720 ml/mol McGowan Calculated Property
Tboil 638.95 K Relay (1.0) Calculated Property
Tfus 395.36 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [236.38; 621.13] 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-1.36970e+02
Coefficient B1.75696e+00
Coefficient C-1.58676e-03
Coefficient D5.87900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 236.38 J/mol×K 273.00 Calculated Property
Cp,gas 312.04 J/mol×K 353.78 Calculated Property
Cp,gas 375.13 J/mol×K 434.56 Calculated Property
Cp,gas 427.51 J/mol×K 515.33 Calculated Property
Cp,gas 471.05 J/mol×K 596.11 Calculated Property
Cp,gas 507.61 J/mol×K 676.89 Calculated Property
Cp,gas 539.03 J/mol×K 757.67 Calculated Property
Cp,gas 567.19 J/mol×K 838.44 Calculated Property
Cp,gas 593.93 J/mol×K 919.22 Calculated Property
Cp,gas 621.13 J/mol×K 1000.00 Calculated Property

Similar Compounds

Cyclopropanecarbonitrile, 1,2-bis(p-nitrophenyl)-. Cyclopropanecarbonitrile, 2-[p-(dimethylamino)phenyl]-1-(p-nitrophenyl)-. Cyclopropanecarbonitrile, 2-[p-(dimethylamino)phenyl]-1-phenyl-. Cyclopropanecarbonitrile, 1,2-diphenyl-. Cyclopropanecarbonitrile, 1-(p-chlorophenyl)-2-phenyl-. Cyclopropanecarbonitrile, 2-[p-(dimethylamino)phenyl]-1-p-tolyl-. Cyclopropanecarbonitrile, 1-(p-bromophenyl)-2-[p-(dimethylamino)phenyl]-. Cyclopropanecarbonitrile, 1-(p-chlorophenyl)-2-(p-methoxyphenyl)-. Norhydrocodone. cannabinolic acid, methyl-boronate. Hydromorphone. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Hydrastine. Baptifoline. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-.

Find more compounds similar to Cyclopropanecarbonitrile, 1-(p-nitrophenyl)-2-phenyl-.

Sources

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