Chemical Properties of Fumaric acid, heptyl myrtenyl ester

Fumaric acid, heptyl myrtenyl ester

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InChI
InChI=1S/C21H32O4/c1-4-5-6-7-8-11-24-19(22)9-10-20(23)25-15-16-12-17-14-18(13-16)21(17,2)3/h9-10,12,17-18H,4-8,11,13-15H2,1-3H3/b10-9+
InChI Key
BONXKMQLOFUNQF-MDZDMXLPSA-N
Formula
C21H32O4
SMILES
CCCCCCCOC(=O)C=CC(=O)OCC1=CC2CC(C1)C2(C)C
Molecular Weight1
348.48
Sources

Physical Properties

Property Value Unit Source
Δf -145.15 kJ/mol Joback Calculated Property
Δfgas -668.50 kJ/mol Joback Calculated Property
Δfus 45.70 kJ/mol Joback Calculated Property
Δvap 80.10 kJ/mol Joback Calculated Property
logPoct/wat 4.59 Crippen Calculated Property
Pc 1301.41 kPa Joback Calculated Property
Tboil 854.08 K Joback Calculated Property
Tc 1058.96 K Joback Calculated Property
Tfus 530.97 K Joback Calculated Property
Vc 1.13 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 947.63 J/mol×K 854.08 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 1
=C< (ring) 1
-CH2- 7
=CH- 2
>C< (ring) 1
-CH3 3
>CH- (ring) 2
-CH2- (ring) 2

Similar Compounds

Fumaric acid, myrtenyl octyl ester. Fumaric acid, butyl myrtenyl ester. Fumaric acid, isohexyl myrtenyl ester. Fumaric acid, myrtenyl propyl ester. Fumaric acid, myrtenyl pentyl ester. Fumaric acid, hexyl myrtenyl ester. Fumaric acid, dimyrtenyl ester. Fumaric acid, isobutyl myrtenyl ester. Myrtenyl angelate. Myrtenyl acetate. 2-pinen-10-yl isobutyrate. myrtenyl 3-methylbutanoate. Myrtenyl laureate. Myrtenyl caprate. Myrtenyl hexanoate.

Find more compounds similar to Fumaric acid, heptyl myrtenyl ester.

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