Chemical Properties of Dehydro abietyl nitrile (CAS 31148-95-5)

Dehydro abietyl nitrile

InChI
InChI=1S/C20H27N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11H2,1-4H3
InChI Key
KSODEYYYINEFHT-UHFFFAOYSA-N
Formula
C20H27N
SMILES
CC(C)c1ccc2c(c1)CCC1C(C)(C#N)CCCC21C
Molecular Weight1
281.44
CAS
31148-95-5
Other Names
  • [1R-(«alpha»,4a«beta»,10a«alpha»)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carbonitrile
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Physical Properties

Property Value Unit Source
ω 0.5298 Relay (1.0) Calculated Property
ΔfG° 420.02 kJ/mol Joback Calculated Property
ΔfH°gas 19.30 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 19.35 kJ/mol Joback Calculated Property
ΔvapH° 99.96 kJ/mol Relay (1.0) Calculated Property
IE 8.12 eV Relay (1.0) Calculated Property
log10WS -6.52 Relay (1.0) Calculated Property
logPoct/wat 5.344 Crippen Calculated Property
McVol 248.560 ml/mol McGowan Calculated Property
Pc 1616.77 kPa Joback Calculated Property
Tboil 646.03 K Relay (1.0) Calculated Property
Tc 911.56 K Relay (1.0) Calculated Property
Tfus 338.74 K Relay (1.0) Calculated Property
Vc 0.882 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [782.24; 925.90] J/mol×K [813.11; 1059.40] Show Hide
Cp,gas 782.24 J/mol×K 813.11 Joback Calculated Property
Cp,gas 804.76 J/mol×K 854.16 Joback Calculated Property
Cp,gas 827.34 J/mol×K 895.21 Joback Calculated Property
Cp,gas 850.38 J/mol×K 936.25 Joback Calculated Property
Cp,gas 874.23 J/mol×K 977.30 Joback Calculated Property
Cp,gas 899.28 J/mol×K 1018.35 Joback Calculated Property
Cp,gas 925.90 J/mol×K 1059.40 Joback Calculated Property

Similar Compounds

Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)-. 7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene. 4b,8-Dimethyl-2-isopropylphenanthrene, 4b,5,6,7,8,8a,9,10-octahydro-. 18-norabieta-8,11,13-triene. 1-Phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1«alpha»,4a«beta»,10a«alpha»)]-. 1-Phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1S-(1«alpha»,4a«alpha»,10a«beta»)]-. Epidehydroabietol. 1-Phenanthrenemethanol, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1«alpha»,4a«beta»,10a«alpha»)]-. Dehydroabietic acid, trimethylsilyl ester. Dehydroabietic acid. 3-Ethyl-5b,8,8,11a-tetramethyl-2,3, 5b,6,7,7a,8,9,10,11,11a,11b,12,13-tetradecahydro-1H-cyclopenta[a]chrysene. Dehydroabietol ethyl benzoate. Methyl dehydroabietate. Methyl 8,11,13-Abietadien-18-oate. 4-epi-Dehydroabietinol acetate.

Find more compounds similar to Dehydro abietyl nitrile.

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