Chemical Properties of 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»)]- (CAS 1686-54-0)

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»)]-

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InChI
InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17+,19-,20+,21+/m1/s1
InChI Key
BGCXKCIPDDNDEV-RKNHFHLDSA-N
Formula
C21H32O2
SMILES
C=CC1(C)C=C2CCC3C(C)(C(=O)OC)CCCC3(C)C2CC1
Molecular Weight1
316.48
CAS
1686-54-0
Other Names
  • Isodextropimaric acid methyl ester
  • Methyl isodextropimarate
  • Methyl sandaracopimarate
  • Podocarp-8(14)-en-15-oic acid, 13«beta»-methyl-13-vinyl-, methyl ester
Sources

Physical Properties

Property Value Unit Source
Δf 90.05 kJ/mol Joback Calculated Property
Δfgas -357.19 kJ/mol Joback Calculated Property
Δfus 19.64 kJ/mol Joback Calculated Property
Δvap 68.31 kJ/mol Joback Calculated Property
logPoct/wat 5.29 Crippen Calculated Property
Pc 1548.78 kPa Joback Calculated Property
Tboil 789.94 K Joback Calculated Property
Tc 1026.62 K Joback Calculated Property
Tfus 509.55 K Joback Calculated Property
Vc 1.03 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 884.46 J/mol×K 789.94 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 1
=CH2 1
=C< (ring) 1
=CH- 1
>C< (ring) 3
-CH3 4
>CH- (ring) 2
-CH2- (ring) 7

Similar Compounds

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,5,6,7,8,10,10a-dodecahydro-1,4a-7-trimethyl-, methyl ester. 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«alpha»,10a«alpha»)]-. Methyl 7,15-Isopimaradien-18-oate. Methyl abiet-7-en-18-oate. Methyl 13-Abieten-18-oate. 1-Phenanthrenecarboxylic acid, 7-ethyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1«alpha»,4a«beta»,7«beta»,10a«alpha»)]-. Methyl 8,15-Isopimaradien-18-oate. 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1«alpha»,4a«beta»,7«beta»,10a«alpha»)]-. 1-Naphthalenecarboxylic acid, decahydro-1,4a-dimethyl-6-methylene-5-(3-methyl-2,4-pentadienyl)-, methyl ester, [1S-[1«alpha»,4a«alpha»,5«alpha»(E),8a«beta»]]-. Methyl 8(14),12-Abietadien-18-oate. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. Methyl 8(14),13(15)-Abietadien-18-oate. Methyl abietate.

Find more compounds similar to 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»)]-.

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