Chemical Properties of Fumaric acid, 4-chlorobenzyl 2-methylpent-3-yl ester

Fumaric acid, 4-chlorobenzyl 2-methylpent-3-yl ester

InChI
InChI=1S/C17H21ClO4/c1-4-15(12(2)3)22-17(20)10-9-16(19)21-11-13-5-7-14(18)8-6-13/h5-10,12,15H,4,11H2,1-3H3/b10-9+
InChI Key
HJRGLLKANKNFMH-MDZDMXLPSA-N
Formula
C17H21ClO4
SMILES
CCC(OC(=O)C=CC(=O)OCc1ccc(Cl)cc1)C(C)C
Molecular Weight1
324.80
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° 39.53 kJ/mol Joback Calculated Property
logPoct/wat 3.917 Crippen Calculated Property
McVol 249.450 ml/mol McGowan Calculated Property
Inp [2257.00; 2257.00]   Show Hide
Inp 2257.00 NIST
Inp 2257.00 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 [696.77; 767.18] J/mol×K [777.37; 989.10] Show Hide
Cp,gas 696.77 J/mol×K 777.37 Joback Calculated Property
Cp,gas 711.27 J/mol×K 812.66 Joback Calculated Property
Cp,gas 724.62 J/mol×K 847.95 Joback Calculated Property
Cp,gas 736.85 J/mol×K 883.24 Joback Calculated Property
Cp,gas 748.00 J/mol×K 918.52 Joback Calculated Property
Cp,gas 758.10 J/mol×K 953.81 Joback Calculated Property
Cp,gas 767.18 J/mol×K 989.10 Joback Calculated Property
η [0.0000416; 0.0014017] Pa×s [399.79; 777.37] Show Hide
η 0.0014017 Pa×s 399.79 Joback Calculated Property
η 0.0005234 Pa×s 462.72 Joback Calculated Property
η 0.0002474 Pa×s 525.65 Joback Calculated Property
η 0.0001373 Pa×s 588.58 Joback Calculated Property
η 0.0000853 Pa×s 651.51 Joback Calculated Property
η 0.0000577 Pa×s 714.44 Joback Calculated Property
η 0.0000416 Pa×s 777.37 Joback Calculated Property

Similar Compounds

Fumaric acid, 4-chlorobenzyl 3-methylbut-2-yl ester. Fumaric acid, 4-chlorobenzyl hept-2-yl ester. Fumaric acid, 4-chlorobenzyl dec-2-yl ester. Succinic acid, 2-methylpent-3-yl 4-chlorobenzyl ester. Glutaric acid, 2-methylpent-3-yl 4-chlorobenzyl ester. Fumaric acid, 4-chlorobenzyl 2-ethylhexyl ester. Succinic acid, 3-chlorobenzyl 2-methylhex-3-yl ester. Glutaric acid, 3-chlorobenzyl 2-methylhex-3-yl ester. Fumaric acid, 4-chlorobenzyl cyclohexylmethyl ester. Glutaric acid, 2-methylhex-3-yl 2,4-dichlorobenzyl ester. Fumaric acid, 4-octyl naphth-2-ylmethyl ester. Succinic acid, 4-(chloromethyl)benzyl 2-methylhex-3-yl ester. Succinic acid, 2,4-dichlorobenzyl 2-methylhex-3-yl ester. Fumaric acid, 2-pentyl naphth-2-ylmethyl ester. Fumaric acid, 2-octyl naphth-2-ylmethyl ester.

Find more compounds similar to Fumaric acid, 4-chlorobenzyl 2-methylpent-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.