Chemical Properties of Fumaric acid, propyl trans-hex-3-enyl ester

Fumaric acid, propyl trans-hex-3-enyl ester

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InChI
InChI=1S/C13H20O4/c1-3-5-6-7-11-17-13(15)9-8-12(14)16-10-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3/b6-5+,9-8+
InChI Key
SSGOPRWMTHYQSV-HHWLVVFRSA-N
Formula
C13H20O4
SMILES
CCC=CCCOC(=O)C=CC(=O)OCCC
Molecular Weight1
240.30
Sources

Physical Properties

Property Value Unit Source
Δf -248.82 kJ/mol Joback Calculated Property
Δfgas -566.81 kJ/mol Joback Calculated Property
Δfus 35.40 kJ/mol Joback Calculated Property
Δvap 62.76 kJ/mol Joback Calculated Property
logPoct/wat 2.40 Crippen Calculated Property
Pc 1940.65 kPa Joback Calculated Property
Tboil 657.74 K Joback Calculated Property
Tc 846.12 K Joback Calculated Property
Tfus 370.43 K Joback Calculated Property
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 525.14 J/mol×K 657.74 Joback Calculated Property
η 0.00 Pa×s 657.74 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Fumaric acid, di(cis-hex-3-enyl) ester. Fumaric acid, cis-hex-3-enyl propyl ester. Fumaric acid, di(trans-hex-3-enyl) ester. Fumaric acid, butyl cis-hex-3-enyl ester. Fumaric acid, butyl trans-hex-3-enyl ester. Fumaric acid, isobutyl trans-hex-3-enyl ester. Fumaric acid, cis-hex-3-enyl isobutyl ester. Fumaric acid, di(cis-non-3-enyl) ester. Fumaric acid, cis-non-3-enyl propyl ester. Fumaric acid, di(tetradec-3-enyl) ester. Fumaric acid, propyl tetradec-3-enyl ester. Fumaric acid, ethyl tetradec-3-enyl ester. Fumaric acid, cis-hex-3-enyl pentyl ester. Fumaric acid, pentyl trans-hex-3-enyl ester. Fumaric acid, butyl cis-non-3-enyl ester.

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