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
ω 0.4736 Relay (1.0) Calculated Property
ΔfG° 52.32 kJ/mol Joback Calculated Property
ΔfH°gas -446.91 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 25.16 kJ/mol Joback Calculated Property
ΔvapH° 97.02 kJ/mol Relay (1.0) Calculated Property
IE 7.95 eV Relay (1.0) Calculated Property
log10WS -5.04 Relay (1.0) Calculated Property
logPoct/wat 5.439 Crippen Calculated Property
McVol 273.010 ml/mol McGowan Calculated Property
Pc 1524.69 kPa Joback 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
Tboil 612.18 K Relay (1.0) Calculated Property
Tc 875.51 K Relay (1.0) Calculated Property
Tfus 372.20 K Relay (1.0) Calculated Property
Vc 0.937 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [887.02; 1036.95] J/mol×K [804.21; 1038.48] Show Hide
Cp,gas 887.02 J/mol×K 804.21 Joback Calculated Property
Cp,gas 911.81 J/mol×K 843.25 Joback Calculated Property
Cp,gas 936.26 J/mol×K 882.30 Joback Calculated Property
Cp,gas 960.68 J/mol×K 921.34 Joback Calculated Property
Cp,gas 985.40 J/mol×K 960.39 Joback Calculated Property
Cp,gas 1010.72 J/mol×K 999.43 Joback Calculated Property
Cp,gas 1036.95 J/mol×K 1038.48 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. 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»)]-. 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»)]-.

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