Chemical Properties of Glutaric acid, 3,5-difluorophenyl isobutyl ester

Glutaric acid, 3,5-difluorophenyl isobutyl ester

InChI
InChI=1S/C15H18F2O4/c1-10(2)9-20-14(18)4-3-5-15(19)21-13-7-11(16)6-12(17)8-13/h6-8,10H,3-5,9H2,1-2H3
InChI Key
PYTUXSKMJKECKD-UHFFFAOYSA-N
Formula
C15H18F2O4
SMILES
CC(C)COC(=O)CCCC(=O)Oc1cc(F)cc(F)c1
Molecular Weight1
300.30
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 -1136.82 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.24 kJ/mol Joback Calculated Property
ΔvapH° 82.59 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.240 Crippen Calculated Property
McVol 216.870 ml/mol McGowan Calculated Property
Pc 1694.90 kPa Joback Calculated Property
Inp [1869.00; 1869.00]   Show Hide
Inp 1869.00 NIST
Inp 1869.00 NIST
Tboil 578.59 K Relay (1.0) Calculated Property
Tc 769.42 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 [598.93; 670.72] J/mol×K [693.98; 883.28] Show Hide
Cp,gas 598.93 J/mol×K 693.98 Joback Calculated Property
Cp,gas 613.11 J/mol×K 725.53 Joback Calculated Property
Cp,gas 626.39 J/mol×K 757.08 Joback Calculated Property
Cp,gas 638.79 J/mol×K 788.63 Joback Calculated Property
Cp,gas 650.31 J/mol×K 820.18 Joback Calculated Property
Cp,gas 660.95 J/mol×K 851.73 Joback Calculated Property
Cp,gas 670.72 J/mol×K 883.28 Joback Calculated Property

Similar Compounds

Glutaric acid, 3,5-difluorophenyl propyl ester. Sebacic acid, 3,5-difluorophenyl isobutyl ester. Glutaric acid, 3-fluorophenyl isobutyl ester. Glutaric acid, butyl 3,5-difluorophenyl ester. Glutaric acid, 3,5-difluorophenyl pentyl ester. Glutaric acid, 3,5-difluorophenyl hexyl ester. Glutaric acid, 3,5-difluorophenyl dodecyl ester. Glutaric acid, 3,5-difluorophenyl tridecyl ester. Glutaric acid, decyl 3,5-difluorophenyl ester. Glutaric acid, 3,5-difluorophenyl heptadecyl ester. Glutaric acid, 3,5-difluorophenyl undecyl ester. Glutaric acid, 3,5-difluorophenyl nonyl ester. Glutaric acid, 3,5-difluorophenyl tetradecyl ester. Glutaric acid, 3,5-difluorophenyl pentadecyl ester. Glutaric acid, 3,5-difluorophenyl hexadecyl ester.

Find more compounds similar to Glutaric acid, 3,5-difluorophenyl isobutyl 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.