Chemical Properties of 2,4,6-Cycloheptatriene-1-carbonitrile (CAS 13612-59-4)

2,4,6-Cycloheptatriene-1-carbonitrile

InChI
InChI=1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H
InChI Key
LADCKIXFXIKHQM-UHFFFAOYSA-N
Formula
C8H7N
SMILES
N#CC1C=CC=CC=C1
Molecular Weight1
117.15
CAS
13612-59-4
Other Names
  • 1,3,5-Cycloheptatriene-7-carbonitrile
  • 2,4,6-Cycloheptatrienecarbonitrile
  • 7-Cyano-1,3,5-cycloheptatriene
  • 7-Cyanocycloheptatriene
  • 1-Cyano-2,4,6-cycloheptatriene
  • 7-cyanotropilidene
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Physical Properties

Property Value Unit Source
ω 0.2375 Relay (1.0) Calculated Property
Δf 251.89 kJ/mol Joback Calculated Property
Δfgas 339.04 kJ/mol Relay (1.0) Calculated Property
Δfus 11.38 kJ/mol Joback Calculated Property
Δvap 60.80 kJ/mol Relay (1.0) Calculated Property
IE 8.89 eV NIST
log10WS -2.10 Relay (1.0) Calculated Property
logPoct/wat 1.808 Crippen Calculated Property
McVol 101.200 ml/mol McGowan Calculated Property
Pc 3572.80 kPa Joback Calculated Property
Tboil 460.68 K Relay (1.0) Calculated Property
Tc 666.60 K Relay (1.0) Calculated Property
Tfus 317.54 K Relay (1.0) Calculated Property
Vc 0.338 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [203.17; 264.16] J/mol×K [505.82; 745.17] Show Hide
Cp,gas 203.17 J/mol×K 505.82 Joback Calculated Property
Cp,gas 215.33 J/mol×K 545.71 Joback Calculated Property
Cp,gas 226.66 J/mol×K 585.60 Joback Calculated Property
Cp,gas 237.18 J/mol×K 625.50 Joback Calculated Property
Cp,gas 246.92 J/mol×K 665.39 Joback Calculated Property
Cp,gas 255.91 J/mol×K 705.28 Joback Calculated Property
Cp,gas 264.16 J/mol×K 745.17 Joback Calculated Property

Similar Compounds

7,7'-bis(Cycloheptatrienyl). Bi-2,4,6-cycloheptatrien-1-yl. Cycloheptatrienyl radical. 1,3,5-Cycloheptatriene, 7-ethyl-. 1,3,6-Heptatriene, 5-methyl-. 1,3-Cyclopentadiene, 5-methyl-. 1,3,5-Cycloheptatriene. Bicyclo[4.4.1]undeca-1,3,5,8-tetralene. 1,3,5-Cycloheptatriene, 3,7,7-trimethyl-. 2,4-Heptadiene, 2,6-dimethyl-. trans Bicyclo[6.1.0]nona-2,4,6-triene. 1,3-Cyclopentadiene, 5-ethyl. 1,3-Cyclopentadiene, 5-(1,1-dimethylethyl)-. 1,3-Cyclohexadiene, 5,6-dimethyl-. 1,3,5-Cycloheptatriene, methyl.

Find more compounds similar to 2,4,6-Cycloheptatriene-1-carbonitrile.

Sources

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