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)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]- (CAS 3310-97-2)

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»)]-

InChI
InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h13,17-18H,6-12H2,1-5H3/t17?,18?,20?,21-/m0/s1
InChI Key
XLNYKQDSHLEWFW-QDDLRWIDSA-N
Formula
C21H32O2
SMILES
COC(=O)C1(C)CCCC2(C)C3CCC(=C(C)C)C=C3CCC12
Molecular Weight1
316.48
CAS
3310-97-2
Other Names
  • Podocarp-8(14)-en-15-oic acid, 13-isopropylidene-, methyl ester
  • Methyl neoabietate
  • Neoabietic acid, methyl ester
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Physical Properties

Property Value Unit Source
ΔfusH° 26.74 kJ/mol Joback Calculated Property
logPoct/wat 5.439 Crippen Calculated Property
McVol 273.010 ml/mol McGowan Calculated Property
Inp [2387.00; 2439.00]   Show Hide
Inp 2387.00 NIST
Inp 2397.00 NIST
Inp 2439.00 NIST
Inp 2431.00 NIST
Inp 2431.00 NIST
Inp 2439.00 NIST
Inp 2387.00 NIST
I [3055.00; 3062.00]   Show Hide
I 3055.00 NIST
I 3062.00 NIST
Tfus 359.16 K Relay (1.0) Calculated Property

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [878.23; 1024.12] J/mol×K [786.34; 1019.09] Show Hide
Cp,gas 878.23 J/mol×K 786.34 Joback Calculated Property
Cp,gas 902.84 J/mol×K 825.13 Joback Calculated Property
Cp,gas 926.92 J/mol×K 863.92 Joback Calculated Property
Cp,gas 950.78 J/mol×K 902.72 Joback Calculated Property
Cp,gas 974.73 J/mol×K 941.51 Joback Calculated Property
Cp,gas 999.07 J/mol×K 980.30 Joback Calculated Property
Cp,gas 1024.12 J/mol×K 1019.09 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)-, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. Methyl palustrate. Methyl 8,13-Abietadien-18-oate. Methyl abietate. Methyl abieta-7,13-dien-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»)]-. Methyl 8(14),12-Abietadien-18-oate. 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»)]-. 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 13«beta»-Abieta-7,9(11)dien-18-oate. Abietic acid. 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»)]-. ((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)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-.

Sources

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