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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 36.81 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

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 [779.96; 866.43] J/mol×K [772.87; 977.74] Show Hide
Cp,gas 779.96 J/mol×K 772.87 Joback Calculated Property
Cp,gas 796.84 J/mol×K 807.02 Joback Calculated Property
Cp,gas 812.68 J/mol×K 841.16 Joback Calculated Property
Cp,gas 827.52 J/mol×K 875.31 Joback Calculated Property
Cp,gas 841.40 J/mol×K 909.45 Joback Calculated Property
Cp,gas 854.35 J/mol×K 943.60 Joback Calculated Property
Cp,gas 866.43 J/mol×K 977.74 Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.