Chemical Properties of 1,3,5-Pentanetricarbonitrile, 3-phenyl (CAS 16320-20-0)

1,3,5-Pentanetricarbonitrile, 3-phenyl

InChI
InChI=1S/C14H13N3/c15-10-4-8-14(12-17,9-5-11-16)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-9H2
InChI Key
KVDYEBISIZWSRT-UHFFFAOYSA-N
Formula
C14H13N3
SMILES
N#CCCC(C#N)(CCC#N)c1ccccc1
Molecular Weight1
223.27
CAS
16320-20-0
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Physical Properties

Property Value Unit Source
ω 0.6517 Relay (1.0) Calculated Property
ΔfG° 581.79 kJ/mol Joback Calculated Property
ΔfH°gas 397.68 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 23.16 kJ/mol Joback Calculated Property
ΔvapH° 90.61 kJ/mol Relay (1.0) Calculated Property
IE 9.53 eV Relay (1.0) Calculated Property
log10WS -4.01 Relay (1.0) Calculated Property
logPoct/wat 3.056 Crippen Calculated Property
McVol 188.500 ml/mol McGowan Calculated Property
Pc 1911.91 kPa Joback Calculated Property
Tboil 595.28 K Relay (1.0) Calculated Property
Tc 866.98 K Relay (1.0) Calculated Property
Tfus 393.93 K Relay (1.0) Calculated Property
Vc 0.641 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [521.08; 570.40] J/mol×K [849.41; 1091.29] Show Hide
Cp,gas 521.08 J/mol×K 849.41 Joback Calculated Property
Cp,gas 530.81 J/mol×K 889.72 Joback Calculated Property
Cp,gas 539.81 J/mol×K 930.04 Joback Calculated Property
Cp,gas 548.18 J/mol×K 970.35 Joback Calculated Property
Cp,gas 556.01 J/mol×K 1010.67 Joback Calculated Property
Cp,gas 563.38 J/mol×K 1050.98 Joback Calculated Property
Cp,gas 570.40 J/mol×K 1091.29 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to 1,3,5-Pentanetricarbonitrile, 3-phenyl.

Sources

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