Chemical Properties of Methyl abieta-7,13-dien-18-oate

Methyl abieta-7,13-dien-18-oate

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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/h8,13-14,17-18H,6-7,9-12H2,1-5H3
InChI Key
OVXRPXGVKBHGQO-UHFFFAOYSA-N
Formula
C21H32O2
SMILES
COC(=O)C1(C)CCCC2(C)C3CCC(C(C)C)=CC3=CCC12
Molecular Weight1
316.48
Sources

Physical Properties

Property Value Unit Source
Δf 33.30 kJ/mol Joback Calculated Property
Δfgas -436.49 kJ/mol Joback Calculated Property
Δfus 23.46 kJ/mol Joback Calculated Property
Δvap 71.00 kJ/mol Joback Calculated Property
logPoct/wat 5.29 Crippen Calculated Property
Pc 1518.75 kPa Joback Calculated Property
Tboil 801.39 K Joback Calculated Property
Tc 1033.26 K Joback Calculated Property
Tfus 489.93 K Joback Calculated Property
Vc 1.03 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 886.67 J/mol×K 801.39 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-CH3 5
=CH- (ring) 2
=C< (ring) 2
>C< (ring) 2
>C=O (nonring) 1
>CH- (ring) 2
-CH2- (ring) 6

Similar Compounds

Methyl abieta-7,13-dien-18-oate. Methyl abietate. Methyl 7,13,15-abietatrienoate. 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»)]-. 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. Abietic acid. Methyl 13.beta.-Abieta-7,9(11)dien-18-oate. Methyl 8,13-Abietadien-18-oate. Methyl palustrate. Neoabietic acid. Methyl abiet-7-en-18-oate. 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»)]-.

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