Chemical Properties of 4-Cyanobenzoic acid, 2-isopropoxyphenyl ester

4-Cyanobenzoic acid, 2-isopropoxyphenyl ester

InChI
InChI=1S/C17H15NO3/c1-12(2)20-15-5-3-4-6-16(15)21-17(19)14-9-7-13(11-18)8-10-14/h3-10,12H,1-2H3
InChI Key
SJIOOBQMRVGMGT-UHFFFAOYSA-N
Formula
C17H15NO3
SMILES
CC(C)Oc1ccccc1OC(=O)c1ccc(C#N)cc1
Molecular Weight1
281.31
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° 30.63 kJ/mol Joback Calculated Property
IE 8.76 eV Relay (1.0) Calculated Property
log10WS -4.24 Relay (1.0) Calculated Property
logPoct/wat 3.565 Crippen Calculated Property
McVol 217.560 ml/mol McGowan Calculated Property
Inp 1996.40 NIST
Tfus 367.97 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [614.09; 669.20] J/mol×K [834.16; 1074.17] Show Hide
Cp,gas 614.09 J/mol×K 834.16 Joback Calculated Property
Cp,gas 626.41 J/mol×K 874.16 Joback Calculated Property
Cp,gas 637.43 J/mol×K 914.16 Joback Calculated Property
Cp,gas 647.20 J/mol×K 954.16 Joback Calculated Property
Cp,gas 655.73 J/mol×K 994.16 Joback Calculated Property
Cp,gas 663.05 J/mol×K 1034.16 Joback Calculated Property
Cp,gas 669.20 J/mol×K 1074.17 Joback Calculated Property

Similar Compounds

p-Toluic acid, 2-isopropoxyphenyl ester. p-Methoxybenzoic acid, 2-isopropoxyphenyl ester. 4-Fluorobenzoic acid, 2-isopropoxyphenyl ester. 4-Bromobenzoic acid, 2-isopropoxyphenyl ester. Isophthalic acid, di(2-isopropoxyphenyl) ester. m-Methoxybenzoic acid, 2-isopropoxyphenyl ester. 2-Bromobenzoic acid, 2-isopropoxyphenyl ester. 3-Bromobenzoic acid, 2-isopropoxyphenyl ester. 3-Fluorobenzoic acid, 2-isopropoxyphenyl ester. 3-Trifluoromethylbenzoic acid, 2-isopropoxyphenyl ester. 4-Nitrobenzoic acid, 2-isopropoxyphenyl ester. o-Methoxybenzoic acid, 2-isopropoxyphenyl ester. Isophthalic acid, ethyl 2-isopropoxyphenyl ester. 2-Trifluorobenzoic acid, 2-isopropoxyphenyl ester. Isophthalic acid, 2-isopropoxyphenyl propyl ester.

Find more compounds similar to 4-Cyanobenzoic acid, 2-isopropoxyphenyl 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.