Chemical Properties of 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]- (CAS 471-77-2)

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-

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InChI
InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)
InChI Key
KGMSWPSAVZAMKR-UHFFFAOYSA-N
Formula
C20H30O2
SMILES
CC(C)=C1C=C2CCC3C(C)(C(=O)O)CCCC3(C)C2CC1
Molecular Weight1
302.45
CAS
471-77-2
Other Names
  • (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-carboxylic acid
  • Podocarp-8(14)-en-15-oic acid, 13-isopropylidene-
  • Neoabietic acid
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Physical Properties

Property Value Unit Source
ΔfG° 12.08 kJ/mol Joback Calculated Property
ΔfH°gas -410.65 kJ/mol Joback Calculated Property
ΔfusH° 25.47 kJ/mol Joback Calculated Property
ΔvapH° 83.35 kJ/mol Joback Calculated Property
log10WS -5.72 Crippen Calculated Property
logPoct/wat 5.350 Crippen Calculated Property
McVol 258.920 ml/mol McGowan Calculated Property
Pc 1801.56 kPa Joback Calculated Property
Inp [2335.00; 2335.00]   Show Hide
Inp 2335.00 NIST
Inp 2335.00 NIST
Tboil 851.09 K Joback Calculated Property
Tc 1076.87 K Joback Calculated Property
Tfus 515.37 K Joback Calculated Property
Vc 0.977 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [868.76; 1011.90] J/mol×K [851.09; 1076.87] Show Hide
Cp,gas 868.76 J/mol×K 851.09 Joback Calculated Property
Cp,gas 891.18 J/mol×K 888.72 Joback Calculated Property
Cp,gas 913.79 J/mol×K 926.35 Joback Calculated Property
Cp,gas 936.86 J/mol×K 963.98 Joback Calculated Property
Cp,gas 960.71 J/mol×K 1001.61 Joback Calculated Property
Cp,gas 985.62 J/mol×K 1039.24 Joback Calculated Property
Cp,gas 1011.90 J/mol×K 1076.87 Joback Calculated Property

Similar Compounds

Methyl 8(14),13(15)-Abietadien-18-oate. 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»)]-. Abietic acid. neoabietinol. (1S,4aR,5S,8aR)-1,4a-Dimethyl-6-methylene-5-((E)-3-methylpenta-2,4-dien-1-yl)decahydronaphthalene-1-carboxylic acid. Methyl abieta-7,13-dien-18-oate. Methyl abietate. Methyl 8,13-Abietadien-18-oate. Methyl palustrate. Abietic acid, trimethylsilyl ester. (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. 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,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethenyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. ((1S,4aR,4bS,10aR)-1,4a-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-1-yl)methyl acetate.

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

Sources

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