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

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

InChI
InChI=1S/C16H24O4/c1-7-13(3)20-15(18)9-8-14(17)19-11-12(2)10-16(4,5)6/h1,8-9,12-13H,10-11H2,2-6H3/b9-8+
InChI Key
DWGKLESWGRNXMF-CMDGGOBGSA-N
Formula
C16H24O4
SMILES
C#CC(C)OC(=O)/C=C/C(=O)OCC(C)CC(C)(C)C
Molecular Weight1
280.36
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Physical Properties

Property Value Unit Source
ΔfusH° 34.65 kJ/mol Joback Calculated Property
logPoct/wat 2.723 Crippen Calculated Property
McVol 238.280 ml/mol McGowan Calculated Property
Inp [1742.00; 1742.00]   Show Hide
Inp 1742.00 NIST
Inp 1742.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [350.30; 775.28] 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 A1.09220e+01
Coefficient B1.47800e+00
Coefficient C-9.15330e-04
Coefficient D2.01690e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 350.30 J/mol×K 273.00 Calculated Property
Cp,gas 428.17 J/mol×K 353.78 Calculated Property
Cp,gas 496.90 J/mol×K 434.56 Calculated Property
Cp,gas 557.10 J/mol×K 515.33 Calculated Property
Cp,gas 609.44 J/mol×K 596.11 Calculated Property
Cp,gas 654.53 J/mol×K 676.89 Calculated Property
Cp,gas 693.02 J/mol×K 757.67 Calculated Property
Cp,gas 725.56 J/mol×K 838.44 Calculated Property
Cp,gas 752.76 J/mol×K 919.22 Calculated Property
Cp,gas 775.28 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, 2,4,4-trimethylpentyl hex-4-yn-3-yl ester. Fumaric acid, 2,4,4-trimethylpentyl 3-methylbut-2-yl ester. Fumaric acid, 2,4,4-trimethylpentyl 1,1,1-trifluoroprop-2-yl ester. Fumaric acid, 2-ethylbutyl but-3-yn-2-yl ester. Fumaric acid, di(2,4,4-trimethylpentyl) ester. Fumaric acid, 2,4,4-trimethylpentyl 2-methylpent-3-yl ester. Fumaric acid, 2,4,4-trimethylpentyl hept-2-yl ester. Fumaric acid, 2,4,4-trimethylpentyl dec-2-yl ester. Fumaric acid, 2,4,4-trimethylpentyl 2,2-dichloroethyl ester. Fumaric acid, 2-methylpentyl 3-methylbut-2-yl ester. Fumaric acid, 2,4,4-trimethylpentyl tridec-2-yn-1-yl ester. Fumaric acid, 2-ethylhexyl hex-4-yn-3-yl ester. Fumaric acid, 2-methylpentyl dec-2-yl ester. Fumaric acid, 2,4,4-trimethylpentyl cyclohexylmethyl ester. Fumaric acid, 2,4,4-trimethylpentyl 3-methylbut-2-en-1-yl ester.

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

Sources

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