Chemical Properties of 1-Phenanthrenecarboxaldehyde, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«beta»,10a«alpha»)]- (CAS 472-39-9)

1-Phenanthrenecarboxaldehyde, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«beta»,10a«alpha»)]-

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InChI
InChI=1S/C20H30O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,13-14,16-17H,1,6-12H2,2-4H3
InChI Key
JKBKXKTXDKYEOR-UHFFFAOYSA-N
Formula
C20H30O
SMILES
C=CC1(C)C=C2CCC3C(C)(C=O)CCCC3(C)C2CC1
Molecular Weight1
286.45
CAS
472-39-9
Other Names
  • Podocarp-8(14)-en-15-al, 13«alpha»-methyl-13-vinyl-
  • Cryptopinon
  • Cryptopinone
  • Dextropimarinal
  • Pimaral
  • Pimarinal
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Physical Properties

Property Value Unit Source
ΔfG° 216.03 kJ/mol Joback Calculated Property
ΔfH°gas -177.33 kJ/mol Joback Calculated Property
ΔfusH° 16.55 kJ/mol Joback Calculated Property
ΔvapH° 63.65 kJ/mol Joback Calculated Property
log10WS -5.66 Crippen Calculated Property
logPoct/wat 5.321 Crippen Calculated Property
McVol 253.050 ml/mol McGowan Calculated Property
Pc 1711.78 kPa Joback Calculated Property
Inp [2149.00; 2177.00]   Show Hide
Inp 2149.00 NIST
Inp 2154.00 NIST
Inp 2171.57 NIST
Inp 2177.00 NIST
Inp 2177.00 NIST
I [2749.00; 2761.00]   Show Hide
I 2749.00 NIST
I 2761.00 NIST
Tboil 739.43 K Joback Calculated Property
Tc 979.37 K Joback Calculated Property
Tfus 468.12 K Joback Calculated Property
Vc 0.963 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [790.90; 947.09] J/mol×K [739.43; 979.37] Show Hide
Cp,gas 790.90 J/mol×K 739.43 Joback Calculated Property
Cp,gas 816.13 J/mol×K 779.42 Joback Calculated Property
Cp,gas 841.06 J/mol×K 819.41 Joback Calculated Property
Cp,gas 866.16 J/mol×K 859.40 Joback Calculated Property
Cp,gas 891.89 J/mol×K 899.39 Joback Calculated Property
Cp,gas 918.71 J/mol×K 939.38 Joback Calculated Property
Cp,gas 947.09 J/mol×K 979.37 Joback Calculated Property

Similar Compounds

Sandaracopimarinal. Isopimarinal. 15-Isopimaradiene. Sandaracopimaridiene. Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, [4aS-(4a«alpha»,4b«beta»,7«beta»,10a«beta»)]-. (1R,4aR,4bS,10aR)-1,4a-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carbaldehyde. Podocarp-7-en-3-one, 13«beta»-methyl-13-vinyl-. 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«beta»,10a«alpha»)]-. 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«alpha»,10a«alpha»)]-. (1R,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrene-1-carbaldehyde. 1-(2,2,3,5,6-Pentamethylcyclohex-4-enyl)-9-(3,3,4-trimethylcyclohex-1-enyl)-3,6-dimethyl-6-ethenyl-dec-4-ene. 5-{(4E)-3,6-dimethyl-6-[3-(3,3,4-trimethyl-1-cyclohexenyl)butyl]-4,7-octadienyl}-1,3,4,4,6-pentamethyl-1-cyclohexene, isomer # 2. 5-{(4E)-3,6-dimethyl-6-[3-(3,3,4-trimethyl-1-cyclohexenyl)butyl]-4,7-octadienyl}-1,3,4,4,6-pentamethyl-1-cyclohexene, isomer # 1. (1R,4aR,4bS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,9,10,10a-decahydrophenanthrene-1-carbaldehyde. Pimaric acid TMS.

Find more compounds similar to 1-Phenanthrenecarboxaldehyde, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«beta»,10a«alpha»)]-.

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