Chemical Properties of Fumaric acid, 2-chloro-5-methylphenyl propyl ester

Fumaric acid, 2-chloro-5-methylphenyl propyl ester

InChI
InChI=1S/C14H15ClO4/c1-3-8-18-13(16)6-7-14(17)19-12-9-10(2)4-5-11(12)15/h4-7,9H,3,8H2,1-2H3/b7-6+
InChI Key
QOJOFIGGVFJBIJ-VOTSOKGWSA-N
Formula
C14H15ClO4
SMILES
CCCOC(=O)C=CC(=O)Oc1cc(C)ccc1Cl
Molecular Weight1
282.72
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
ΔfH°gas -661.16 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 35.25 kJ/mol Joback Calculated Property
ΔvapH° 86.46 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.063 Crippen Calculated Property
McVol 207.180 ml/mol McGowan Calculated Property
Inp [2030.00; 2030.00]   Show Hide
Inp 2030.00 NIST
Inp 2030.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 [540.12; 602.94] J/mol×K [750.53; 967.73] Show Hide
Cp,gas 540.12 J/mol×K 750.53 Joback Calculated Property
Cp,gas 552.75 J/mol×K 786.73 Joback Calculated Property
Cp,gas 564.50 J/mol×K 822.93 Joback Calculated Property
Cp,gas 575.37 J/mol×K 859.13 Joback Calculated Property
Cp,gas 585.39 J/mol×K 895.33 Joback Calculated Property
Cp,gas 594.58 J/mol×K 931.53 Joback Calculated Property
Cp,gas 602.94 J/mol×K 967.73 Joback Calculated Property
η [0.0000935; 0.0006663] Pa×s [468.16; 750.53] Show Hide
η 0.0006663 Pa×s 468.16 Joback Calculated Property
η 0.0004136 Pa×s 515.22 Joback Calculated Property
η 0.0002781 Pa×s 562.28 Joback Calculated Property
η 0.0001988 Pa×s 609.35 Joback Calculated Property
η 0.0001491 Pa×s 656.41 Joback Calculated Property
η 0.0001163 Pa×s 703.47 Joback Calculated Property
η 0.0000935 Pa×s 750.53 Joback Calculated Property

Similar Compounds

Fumaric acid, 2-chloro-5-methylphenyl isobutyl ester. Fumaric acid, butyl 2-chloro-5-methylphenyl ester. Fumaric acid, 2-chloro-5-methylphenyl pentyl ester. Fumaric acid, 2-chloro-5-methylphenyl ethyl ester. Fumaric acid, 2-chloro-5-methylphenyl hexyl ester. Fumaric acid, 2-chloro-5-methylphenyl tridecyl ester. Fumaric acid, 2-chloro-5-methylphenyl pentadecyl ester. Fumaric acid, 2-chloro-5-methylphenyl dodecyl ester. Fumaric acid, 2-chloro-5-methylphenyl undecyl ester. Fumaric acid, 2-chloro-5-methylphenyl nonyl ester. Fumaric acid, 2-chloro-5-methylphenyl isohexyl ester. Fumaric acid, di(2-chloro-5-methylphenyl) ester. Fumaric acid, 2-chlorophenyl 8-chlorooctyl ester. Fumaric acid, 3-ethylphenyl propyl ester. Succinic acid, 2-chloro-5-methylphenyl propyl ester.

Find more compounds similar to Fumaric acid, 2-chloro-5-methylphenyl propyl 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.