Chemical Properties of Fumaric acid, 2-octyl hex-4-yn-3-yl ester

Fumaric acid, 2-octyl hex-4-yn-3-yl ester

InChI
InChI=1S/C18H28O4/c1-5-8-9-10-12-15(4)21-17(19)13-14-18(20)22-16(7-3)11-6-2/h13-16H,5,7-10,12H2,1-4H3/b14-13+
InChI Key
UYFCAVVQALYUJP-BUHFOSPRSA-N
Formula
C18H28O4
SMILES
CC#CC(CC)OC(=O)/C=C/C(=O)OC(C)CCCCCC
Molecular Weight1
308.42
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Physical Properties

Property Value Unit Source
ΔfusH° 44.23 kJ/mol Joback Calculated Property
logPoct/wat 3.790 Crippen Calculated Property
McVol 266.460 ml/mol McGowan Calculated Property
Inp [2066.00; 2066.00]   Show Hide
Inp 2066.00 NIST
Inp 2066.00 NIST
Tboil 569.60 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [778.28; 863.49] J/mol×K [776.10; 973.70] Show Hide
Cp,gas 778.28 J/mol×K 776.10 Joback Calculated Property
Cp,gas 794.85 J/mol×K 809.03 Joback Calculated Property
Cp,gas 810.44 J/mol×K 841.97 Joback Calculated Property
Cp,gas 825.08 J/mol×K 874.90 Joback Calculated Property
Cp,gas 838.79 J/mol×K 907.83 Joback Calculated Property
Cp,gas 851.58 J/mol×K 940.76 Joback Calculated Property
Cp,gas 863.49 J/mol×K 973.70 Joback Calculated Property

Similar Compounds

Fumaric acid, 4-octyl hex-4-yn-3-yl ester. Fumaric acid, 2-octyl tridec-2-yn-1-yl ester. Fumaric acid, 2-pentyl dec-2-yl ester. Fumaric acid, di(2-decyl) ester. Fumaric acid, 2-octyl hept-2-yl ester. Fumaric acid, 2-pentyl tridec-2-yn-1-yl ester. Succinic acid, 2-octyl 3-hex-4-ynyl ester. Fumaric acid, di(2-heptyl) ester. Fumaric acid, 2-pentyl hept-2-yl ester. Glutaric acid, dec-2-yl hex-4-yn-3-yl ester. Fumaric acid, 4-octyl hept-2-yl ester. Glutaric acid, hept-2-yl hex-4-yn-3-yl ester. Fumaric acid, 2-ethylhexyl hex-4-yn-3-yl ester. Succinic acid, hex-4-yn-3-yl 2-hexyl ester. Fumaric acid, di(3-heptyl) ester.

Find more compounds similar to Fumaric acid, 2-octyl hex-4-yn-3-yl ester.

Sources

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