Chemical Properties of Fumaric acid, 2,4,4-trimethylpentyl tridec-2-yn-1-yl ester

Fumaric acid, 2,4,4-trimethylpentyl tridec-2-yn-1-yl ester

InChI
InChI=1S/C25H42O4/c1-6-7-8-9-10-11-12-13-14-15-16-19-28-23(26)17-18-24(27)29-21-22(2)20-25(3,4)5/h17-18,22H,6-14,19-21H2,1-5H3/b18-17+
InChI Key
CWADOIYWYINDGL-ISLYRVAYSA-N
Formula
C25H42O4
SMILES
CCCCCCCCCCC#CCOC(=O)C=CC(=O)OCC(C)CC(C)(C)C
Molecular Weight1
406.60
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° 58.47 kJ/mol Joback Calculated Property
logPoct/wat 6.236 Crippen Calculated Property
McVol 365.090 ml/mol McGowan Calculated Property
Inp [2753.00; 2753.00]   Show Hide
Inp 2753.00 NIST
Inp 2753.00 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 [1200.29; 1294.43] J/mol×K [933.47; 1143.55] Show Hide
Cp,gas 1200.29 J/mol×K 933.47 Joback Calculated Property
Cp,gas 1218.81 J/mol×K 968.48 Joback Calculated Property
Cp,gas 1236.12 J/mol×K 1003.50 Joback Calculated Property
Cp,gas 1252.26 J/mol×K 1038.51 Joback Calculated Property
Cp,gas 1267.32 J/mol×K 1073.52 Joback Calculated Property
Cp,gas 1281.35 J/mol×K 1108.54 Joback Calculated Property
Cp,gas 1294.43 J/mol×K 1143.55 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Fumaric acid, 2,4,4-trimethylpentyl tridec-2-yn-1-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.