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

Fumaric acid, 3-methylbutyl hex-4-yn-3-yl ester

InChI
InChI=1S/C15H22O4/c1-5-7-13(6-2)19-15(17)9-8-14(16)18-11-10-12(3)4/h8-9,12-13H,6,10-11H2,1-4H3
InChI Key
SONHRYHTAHHGHU-CMDGGOBGSA-N
Formula
C15H22O4
SMILES
CC#CC(CC)OC(=O)/C=C/C(=O)OCCC(C)C
Molecular Weight1
266.34
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Physical Properties

Property Value Unit Source
ΔfH°gas -614.70 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 36.46 kJ/mol Joback Calculated Property
ΔvapH° 85.49 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.477 Crippen Calculated Property
McVol 224.190 ml/mol McGowan Calculated Property
Inp [1816.00; 1816.00]   Show Hide
Inp 1816.00 NIST
Inp 1816.00 NIST
Tboil 550.62 K Relay (1.0) Calculated Property
Tc 735.94 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, 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 [610.66; 691.09] J/mol×K [707.46; 909.43] Show Hide
Cp,gas 610.66 J/mol×K 707.46 Joback Calculated Property
Cp,gas 626.20 J/mol×K 741.12 Joback Calculated Property
Cp,gas 640.87 J/mol×K 774.78 Joback Calculated Property
Cp,gas 654.68 J/mol×K 808.44 Joback Calculated Property
Cp,gas 667.64 J/mol×K 842.10 Joback Calculated Property
Cp,gas 679.78 J/mol×K 875.77 Joback Calculated Property
Cp,gas 691.09 J/mol×K 909.43 Joback Calculated Property

Similar Compounds

Fumaric acid, 2-ethylbutyl hex-4-yn-3-yl ester. Fumaric acid, 2-ethylhexyl hex-4-yn-3-yl ester. Fumaric acid, 2,4,4-trimethylpentyl hex-4-yn-3-yl ester. Succinic acid, 3-hex-4-ynyl 3-methylbutyl ester. Fumaric acid, 2-octyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl 3-methylbutyl ester. Fumaric acid, 4-octyl hex-4-yn-3-yl ester. Fumaric acid, 3-methylbutyl 3-methylbut-2-yl ester. Fumaric acid, 3-methylbutyl tridec-2-yn-1-yl ester. Fumaric acid, butyl 4-methylpent-2-yl ester. Fumaric acid, 4-methylpent-2-yl pentyl ester. Fumaric acid, isohexyl 4-methylpent-2-yl ester. Fumaric acid, 2-butyl isohexyl ester. Glutaric acid, hex-4-yn-3-yl 3-methyl-5-methoxypentyl ester. Glutaric acid, hex-4-yn-3-yl 2-methylbutyl ester.

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

Sources

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