Chemical Properties of 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»)]- (CAS 54850-32-7)

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»)]-

InChI
InChI=1S/C21H30O2/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/h8,13,17-18H,1,6-7,9-12H2,2-5H3
InChI Key
VFWGUFBDEBVPBM-UHFFFAOYSA-N
Formula
C21H30O2
SMILES
C=C(C)C1=CC2=CCC3C(C)(C(=O)OC)CCCC3(C)C2CC1
Molecular Weight1
314.46
CAS
54850-32-7
Other Names
  • Methyl 7,13,15-abietatrienoate
  • Methyl 7,13,15-Abietatrien-18-oate
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Physical Properties

Property Value Unit Source
ω 0.4770 Relay (1.0) Calculated Property
ΔfG° 115.03 kJ/mol Joback Calculated Property
ΔfH°gas -348.89 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 24.39 kJ/mol Joback Calculated Property
ΔvapH° 96.28 kJ/mol Relay (1.0) Calculated Property
IE 7.89 eV Relay (1.0) Calculated Property
log10WS -4.95 Relay (1.0) Calculated Property
logPoct/wat 5.215 Crippen Calculated Property
McVol 268.710 ml/mol McGowan Calculated Property
Pc 1565.99 kPa Joback Calculated Property
Inp [2466.00; 2492.00]   Show Hide
Inp 2466.00 NIST
Inp 2492.00 NIST
Inp 2492.00 NIST
Inp 2466.00 NIST
Tboil 614.43 K Relay (1.0) Calculated Property
Tc 875.21 K Relay (1.0) Calculated Property
Tfus 371.59 K Relay (1.0) Calculated Property
Vc 0.917 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [858.98; 1004.03] J/mol×K [798.39; 1033.52] Show Hide
Cp,gas 858.98 J/mol×K 798.39 Joback Calculated Property
Cp,gas 882.95 J/mol×K 837.58 Joback Calculated Property
Cp,gas 906.59 J/mol×K 876.77 Joback Calculated Property
Cp,gas 930.20 J/mol×K 915.95 Joback Calculated Property
Cp,gas 954.10 J/mol×K 955.14 Joback Calculated Property
Cp,gas 978.61 J/mol×K 994.33 Joback Calculated Property
Cp,gas 1004.03 J/mol×K 1033.52 Joback Calculated Property

Similar Compounds

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. Methyl 13«beta»-Abieta-7,9(11)dien-18-oate. Abietic acid. 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 palustrate. Methyl 8,13-Abietadien-18-oate. 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»]]-. Abietic acid, trimethylsilyl ester. ((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methyl acetate. 1-Phenanthrenecarboxylic acid,7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a-7-trimethyl-, methyl ester. Methyl 7,15-Isopimaradien-18-oate.

Find more compounds similar to 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»)]-.

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