Chemical Properties of 3,4-Difluorobenzoic acid, cyclohexylmethyl ester

3,4-Difluorobenzoic acid, cyclohexylmethyl ester

InChI
InChI=1S/C14H16F2O2/c15-12-7-6-11(8-13(12)16)14(17)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChI Key
BMCIIJGMGABYOH-UHFFFAOYSA-N
Formula
C14H16F2O2
SMILES
O=C(OCC1CCCCC1)c1ccc(F)c(F)c1
Molecular Weight1
254.27
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° 27.64 kJ/mol Joback Calculated Property
logPoct/wat 3.702 Crippen Calculated Property
McVol 184.480 ml/mol McGowan Calculated Property
Inp [1725.00; 1725.00]   Show Hide
Inp 1725.00 NIST
Inp 1725.00 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 [495.28; 584.23] J/mol×K [632.87; 846.85] Show Hide
Cp,gas 495.28 J/mol×K 632.87 Joback Calculated Property
Cp,gas 512.97 J/mol×K 668.53 Joback Calculated Property
Cp,gas 529.48 J/mol×K 704.20 Joback Calculated Property
Cp,gas 544.83 J/mol×K 739.86 Joback Calculated Property
Cp,gas 559.06 J/mol×K 775.52 Joback Calculated Property
Cp,gas 572.18 J/mol×K 811.19 Joback Calculated Property
Cp,gas 584.23 J/mol×K 846.85 Joback Calculated Property

Similar Compounds

3,4-Difluorobenzoic acid, 2-ethylhexyl ester. 2,4-Difluorobenzoic acid, cyclohexylmethyl ester. 3-Fluorobenzoic acid, 2-methylpentyl ester. 2,4-Difluorobenzoic acid, 2-ethylhexyl ester. 2,5-Difluorobenzoic acid, cyclohexylmethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, cyclohexylmethyl ester. 2,5-Difluorobenzoic acid, 2-ethylhexyl ester. 2,4-Difluorobenzoic acid, 2-methylpentyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-ethylhexyl ester. 4-Fluorobenzoic acid, 2-methylpentyl ester. 2-Fluorobenzoic acid, 2-methylpentyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methylpentyl ester. 3,4-Difluorobenzoic acid, heptyl ester. Isophthalic acid, dicyclohexylmethyl ester. 3,4-Difluorobenzoic acid, decyl ester.

Find more compounds similar to 3,4-Difluorobenzoic acid, cyclohexylmethyl 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.