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

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

InChI
InChI=1S/C18H28O4/c1-7-9-15(8-2)22-17(20)11-10-16(19)21-13-14(3)12-18(4,5)6/h10-11,14-15H,8,12-13H2,1-6H3/b11-10+
InChI Key
YDESRAGTKNNVKN-ZHACJKMWSA-N
Formula
C18H28O4
SMILES
CC#CC(CC)OC(=O)/C=C/C(=O)OCC(C)CC(C)(C)C
Molecular Weight1
308.42
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Physical Properties

Property Value Unit Source
ΔfusH° 39.98 kJ/mol Joback Calculated Property
logPoct/wat 3.503 Crippen Calculated Property
McVol 266.460 ml/mol McGowan Calculated Property
Inp [2002.00; 2002.00]   Show Hide
Inp 2002.00 NIST
Inp 2002.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [387.01; 875.02] 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 A1.28830e+01
Coefficient B1.61212e+00
Coefficient C-9.36060e-04
Coefficient D1.86080e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 387.01 J/mol×K 273.00 Calculated Property
Cp,gas 474.30 J/mol×K 353.78 Calculated Property
Cp,gas 551.94 J/mol×K 434.56 Calculated Property
Cp,gas 620.54 J/mol×K 515.33 Calculated Property
Cp,gas 680.67 J/mol×K 596.11 Calculated Property
Cp,gas 732.94 J/mol×K 676.89 Calculated Property
Cp,gas 777.91 J/mol×K 757.67 Calculated Property
Cp,gas 816.19 J/mol×K 838.44 Calculated Property
Cp,gas 848.37 J/mol×K 919.22 Calculated Property
Cp,gas 875.02 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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