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

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

InChI
InChI=1S/C16H24O4/c1-5-9-14(8-4)20-16(18)11-10-15(17)19-12-13(6-2)7-3/h10-11,13-14H,6-8,12H2,1-4H3
InChI Key
ZUXGJJJOTWIDJG-ZHACJKMWSA-N
Formula
C16H24O4
SMILES
CC#CC(CC)OC(=O)/C=C/C(=O)OCC(CC)CC
Molecular Weight1
280.36
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Physical Properties

Property Value Unit Source
ΔfusH° 42.21 kJ/mol Joback Calculated Property
logPoct/wat 2.867 Crippen Calculated Property
McVol 238.280 ml/mol McGowan Calculated Property
Inp [1744.00; 1744.00]   Show Hide
Inp 1744.00 NIST
Inp 1744.00 NIST
Tboil 564.61 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [346.05; 770.37] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.91740e+01
Coefficient B1.29628e+00
Coefficient C-6.55460e-04
Coefficient D9.03800e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 346.05 J/mol×K 273.00 Calculated Property
Cp,gas 419.73 J/mol×K 353.78 Calculated Property
Cp,gas 486.12 J/mol×K 434.56 Calculated Property
Cp,gas 545.49 J/mol×K 515.33 Calculated Property
Cp,gas 598.13 J/mol×K 596.11 Calculated Property
Cp,gas 644.32 J/mol×K 676.89 Calculated Property
Cp,gas 684.36 J/mol×K 757.67 Calculated Property
Cp,gas 718.52 J/mol×K 838.44 Calculated Property
Cp,gas 747.10 J/mol×K 919.22 Calculated Property
Cp,gas 770.37 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, 2-ethylhexyl hex-4-yn-3-yl ester. Fumaric acid, 2,4,4-trimethylpentyl hex-4-yn-3-yl ester. Fumaric acid, 3-methylbutyl hex-4-yn-3-yl ester. Fumaric acid, 2-ethylbutyl but-3-yn-2-yl ester. Fumaric acid, 2-ethylbutyl tridec-2-yn-1-yl ester. Fumaric acid, 2-methylpentyl tridec-2-yn-1-yl ester. Fumaric acid, 2-methylpentyl 3-methylbut-2-yl ester. Fumaric acid, 2-ethylhexyl tridec-2-yn-1-yl ester. Fumaric acid, 2-ethylbutyl dec-2-yl ester. Fumaric acid, 2-octyl hex-4-yn-3-yl ester. Fumaric acid, 2-methylpentyl dec-2-yl ester. Glutaric acid, hex-4-yn-3-yl 2-ethylhexyl ester. Fumaric acid, 4-octyl hex-4-yn-3-yl ester. Fumaric acid, 4-octyl cyclohexylmethyl ester. Fumaric acid, 2,4,4-trimethylpentyl but-3-yn-2-yl ester.

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

Sources

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