Chemical Properties of Hydroxy-copalic acid methyl ester

Hydroxy-copalic acid methyl ester

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InChI
InChI=1S/C21H34O3/c1-14(13-19(23)24-6)7-9-16-15(2)8-10-17-20(3,4)18(22)11-12-21(16,17)5/h13,16-18,22H,2,7-12H2,1,3-6H3/b14-13+/t16-,17-,18-,21+/m0/s1
InChI Key
ZPIMNSSFJAWUGM-GRKUEHCHSA-N
Formula
C21H34O3
SMILES
C=C1CCC2C(C)(C)C(O)CCC2(C)C1CCC(C)=CC(=O)OC
Molecular Weight1
334.49
Sources

Physical Properties

Property Value Unit Source
Δf -81.06 kJ/mol Joback Calculated Property
Δfgas -591.71 kJ/mol Joback Calculated Property
Δfus 33.24 kJ/mol Joback Calculated Property
Δvap 85.66 kJ/mol Joback Calculated Property
logPoct/wat 4.66 Crippen Calculated Property
Pc 1403.79 kPa Joback Calculated Property
Tboil 868.58 K Joback Calculated Property
Tc 1079.40 K Joback Calculated Property
Tfus 510.93 K Joback Calculated Property
Vc 1.09 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 982.14 J/mol×K 868.58 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Acetoxy-copalic acid methyl ester. 2-Pentenoic acid, 5-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methyl-, methyl ester, [1R-[1«alpha»(E),4a«beta»,8a«alpha»]]-. Ent- agathic acid methyl ester. 1-Naphthalenemethanol, decahydro-5-(5-hydroxy-3-methyl-3-pentenyl)-1,4a-dimethyl-6-methylene-, [1S-[1«alpha»,4a«alpha»,5«alpha»(E),8a«beta»]]-. Pimara-7,15-dien-3-ol. .BETA.-amyrin. .ALPHA.-amyrin. (E)-3-Methyl-5-((1R,4aR,8aR)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)pent-2-enoic acid. urs-12-ene-3«beta»,28-diol. 3- .alpha.-Hydroxy-manool. Cholest-7-en-3-ol, 4-methyl-, (3«beta»,4«alpha»,5«alpha»)-. Lophenol. 4,4,14-.alpha.-Trimethyl-5-.alpha.-cholest-7-en-3-.beta.-ol. 4,4,14-.alpha.-Trimethyl-5-.alpha.-cholest-9(11)-en-3-.beta.-ol. 7-Dehydro DHEA.

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