Chemical Properties of Ent- agathic acid methyl ester

Ent- agathic acid methyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C21H32O4/c1-14(13-19(22)24-4)8-10-17-15(2)9-11-18-16(20(23)25-5)7-6-12-21(17,18)3/h13,16-18H,2,6-12H2,1,3-5H3/b14-13+/t16?,17-,18-,21+/m0/s1
InChI Key
MLSGWHAHBQGEBV-QAMHRUCZSA-N
Formula
C21H32O4
SMILES
C=C1CCC2C(C(=O)OC)CCCC2(C)C1CCC(C)=CC(=O)OC
Molecular Weight1
348.48
Sources

Physical Properties

Property Value Unit Source
Δf -164.96 kJ/mol Joback Calculated Property
Δfgas -679.18 kJ/mol Joback Calculated Property
Δfus 37.17 kJ/mol Joback Calculated Property
Δvap 79.59 kJ/mol Joback Calculated Property
logPoct/wat 4.45 Crippen Calculated Property
Pc 1344.71 kPa Joback Calculated Property
Tboil 857.12 K Joback Calculated Property
Tc 1074.29 K Joback Calculated Property
Tfus 502.61 K Joback Calculated Property
Vc 1.10 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 963.46 J/mol×K 857.12 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
=C< 1
>C=O (nonring) 2
=CH2 1
=C< (ring) 1
-CH2- 2
=CH- 1
>C< (ring) 1
-CH3 4
>CH- (ring) 3
-CH2- (ring) 5

Similar Compounds

Methyl abiet-7-en-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»]]-. Hydroxy-copalic acid 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»)]-. Methyl 7,15-Isopimaradien-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,5,6,7,9,10,10a-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»)]-. methyl [3S-(3«alpha»,3a«alpha»,6«alpha»,8a«alpha»)]-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylate. Methyl 2-epi-ziza-6(13)-en-12-oate. Acetoxy-copalic acid methyl ester. Methyl 13-Abieten-18-oate. methyl (4«beta»)-kaur-16-en-18-oate. ent-Kaurenoic acid, isomer, methyl ester. Kaur-16-en-18-oic acid, methyl ester, (4«beta»)-.

Find more compounds similar to Ent- agathic acid methyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.