Chemical Properties of 2-Chlorobenzoic acid, 4-methoxy-2-methylbutyl ester

2-Chlorobenzoic acid, 4-methoxy-2-methylbutyl ester

InChI
InChI=1S/C13H17ClO3/c1-10(7-8-16-2)9-17-13(15)11-5-3-4-6-12(11)14/h3-6,10H,7-9H2,1-2H3
InChI Key
AOYQHRUPNZPJHW-UHFFFAOYSA-N
Formula
C13H17ClO3
SMILES
COCCC(C)COC(=O)c1ccccc1Cl
Molecular Weight1
256.73
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° 29.31 kJ/mol Joback Calculated Property
log10WS -3.40 Relay (1.0) Calculated Property
logPoct/wat 3.169 Crippen Calculated Property
McVol 195.820 ml/mol McGowan Calculated Property
Pc 2083.12 kPa Joback Calculated Property
Inp [1853.00; 1853.00]   Show Hide
Inp 1853.00 NIST
Inp 1853.00 NIST
Tboil 588.89 K Relay (1.0) Calculated Property
Tfus 247.24 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [493.28; 569.16] J/mol×K [646.33; 853.72] Show Hide
Cp,gas 493.28 J/mol×K 646.33 Joback Calculated Property
Cp,gas 508.17 J/mol×K 680.90 Joback Calculated Property
Cp,gas 522.16 J/mol×K 715.46 Joback Calculated Property
Cp,gas 535.24 J/mol×K 750.03 Joback Calculated Property
Cp,gas 547.43 J/mol×K 784.59 Joback Calculated Property
Cp,gas 558.73 J/mol×K 819.16 Joback Calculated Property
Cp,gas 569.16 J/mol×K 853.72 Joback Calculated Property
η [0.0001021; 0.0017585] Pa×s [354.69; 646.33] Show Hide
η 0.0017585 Pa×s 354.69 Joback Calculated Property
η 0.0008221 Pa×s 403.30 Joback Calculated Property
η 0.0004526 Pa×s 451.90 Joback Calculated Property
η 0.0002798 Pa×s 500.51 Joback Calculated Property
η 0.0001884 Pa×s 549.12 Joback Calculated Property
η 0.0001352 Pa×s 597.72 Joback Calculated Property
η 0.0001021 Pa×s 646.33 Joback Calculated Property

Similar Compounds

4-Chlorobenzoic acid, 4-methoxy-2-methylbutyl ester. 2-Chlorobenzoic acid, 3-methylbutyl ester. 2-Chlorobenzoic acid, 2-methylpentyl ester. 3-Chloro-2-fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Chlorobenzoic acid, 2-methylbutyl ester. 1-Naphthoic acid, 4-methoxy-2-methylbutyl ester. 4-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. Benzoic acid, 2-chloro, butyl ester. 3-Bromobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Trifluoromethylbenzoic acid, 4-methoxy-2-methylbutyl ester. 4-Methylbenzoic acid, 4-methoxy-2-methylbutyl ester. Benzoic acid, 2-(2-methoxyethyl)hexyl ester. 2-Chlorobenzoic acid, hexyl ester. 2-Chlorobenzoic acid, pentyl ester.

Find more compounds similar to 2-Chlorobenzoic acid, 4-methoxy-2-methylbutyl 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.