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

Cheméo can also estimate Normal Boiling Point Temperature, 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 [652.15; 736.47] J/mol×K [672.29; 869.11] Show Hide
Cp,gas 652.15 J/mol×K 672.29 Joback Calculated Property
Cp,gas 668.69 J/mol×K 705.09 Joback Calculated Property
Cp,gas 684.18 J/mol×K 737.90 Joback Calculated Property
Cp,gas 698.66 J/mol×K 770.70 Joback Calculated Property
Cp,gas 712.17 J/mol×K 803.50 Joback Calculated Property
Cp,gas 724.76 J/mol×K 836.30 Joback Calculated Property
Cp,gas 736.47 J/mol×K 869.11 Joback 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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