Chemical Properties of Glutaric acid, 1-(2,6-difluorophenyl)ethyl isobutyl ester

Glutaric acid, 1-(2,6-difluorophenyl)ethyl isobutyl ester

InChI
InChI=1S/C17H22F2O4/c1-11(2)10-22-15(20)8-5-9-16(21)23-12(3)17-13(18)6-4-7-14(17)19/h4,6-7,11-12H,5,8-10H2,1-3H3
InChI Key
YLWWQUFIBITGEA-UHFFFAOYSA-N
Formula
C17H22F2O4
SMILES
CC(C)COC(=O)CCCC(=O)OC(C)c1c(F)cccc1F
Molecular Weight1
328.35
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 -1172.18 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 40.90 kJ/mol Joback Calculated Property
ΔvapH° 89.15 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.939 Crippen Calculated Property
McVol 245.050 ml/mol McGowan Calculated Property
Pc 1464.61 kPa Joback Calculated Property
Inp [2034.00; 2034.00]   Show Hide
Inp 2034.00 NIST
Inp 2034.00 NIST
Tboil 589.13 K Relay (1.0) Calculated Property
Tc 778.32 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [362.40; 803.20] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.17640e+01
Coefficient B1.34676e+00
Coefficient C-6.48120e-04
Coefficient D6.28000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 362.40 J/mol×K 273.00 Calculated Property
Cp,gas 439.88 J/mol×K 353.78 Calculated Property
Cp,gas 509.77 J/mol×K 434.56 Calculated Property
Cp,gas 572.27 J/mol×K 515.33 Calculated Property
Cp,gas 627.58 J/mol×K 596.11 Calculated Property
Cp,gas 675.89 J/mol×K 676.89 Calculated Property
Cp,gas 717.41 J/mol×K 757.67 Calculated Property
Cp,gas 752.34 J/mol×K 838.44 Calculated Property
Cp,gas 780.87 J/mol×K 919.22 Calculated Property
Cp,gas 803.20 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 1-(2,6-difluorophenyl)ethyl propyl ester. Glutaric acid, butyl 1-(2,6-difluorophenyl)ethyl ester. Succinic acid, 1-(2,6-difluorophenyl)ethyl isobutyl ester. Glutaric acid, 1-(2,6-difluorophenyl)ethyl ethyl ester. Glutaric acid, 1-(2-fluorophenyl)ethyl isobutyl ester. Glutaric acid, 1-(2,6-difluorophenyl)ethyl pentyl ester. Glutaric acid, 1-(2,6-difluorophenyl)ethyl hexyl ester. Glutaric acid, 1-(2,6-difluorophenyl)ethyl heptyl ester. Glutaric acid, 1-(2,6-difluorophenyl)ethyl tetradecyl ester. Glutaric acid, 1-(2,6-difluorophenyl)ethyl heptadecyl ester. Glutaric acid, 1-(2,6-difluorophenyl)ethyl tridecyl ester. Glutaric acid, 1-(2,6-difluorophenyl)ethyl octadecyl ester. Glutaric acid, decyl 1-(2,6-difluorophenyl)ethyl ester. Glutaric acid, 1-(2,6-difluorophenyl)ethyl undecyl ester. Glutaric acid, 1-(2,6-difluorophenyl)ethyl dodecyl ester.

Find more compounds similar to Glutaric acid, 1-(2,6-difluorophenyl)ethyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.