Chemical Properties of Dimethylmalonic acid, 2-chloro-6-fluorophenyl isohexyl ester

Dimethylmalonic acid, 2-chloro-6-fluorophenyl isohexyl ester

InChI
InChI=1S/C17H22ClFO4/c1-11(2)7-6-10-22-15(20)17(3,4)16(21)23-14-12(18)8-5-9-13(14)19/h5,8-9,11H,6-7,10H2,1-4H3
InChI Key
SYRREAXTFHQWTL-UHFFFAOYSA-N
Formula
C17H22ClFO4
SMILES
CC(C)CCCOC(=O)C(C)(C)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
344.81
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° 34.96 kJ/mol Joback Calculated Property
logPoct/wat 4.390 Crippen Calculated Property
McVol 255.520 ml/mol McGowan Calculated Property
Inp [2029.00; 2029.00]   Show Hide
Inp 2029.00 NIST
Inp 2029.00 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 [740.00; 809.17] J/mol×K [810.61; 1019.61] Show Hide
Cp,gas 740.00 J/mol×K 810.61 Joback Calculated Property
Cp,gas 754.05 J/mol×K 845.44 Joback Calculated Property
Cp,gas 767.05 J/mol×K 880.28 Joback Calculated Property
Cp,gas 779.03 J/mol×K 915.11 Joback Calculated Property
Cp,gas 790.02 J/mol×K 949.94 Joback Calculated Property
Cp,gas 800.06 J/mol×K 984.78 Joback Calculated Property
Cp,gas 809.17 J/mol×K 1019.61 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, 2-chloro-6-fluorophenyl pentyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl undecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl pentadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl heptyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl hexadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl octadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl decyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl octyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl dodecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl heptadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl tetradecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl hexyl ester. Dimethylmalonic acid, butyl 2-chloro-6-fluorophenyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl pentyl ester.

Find more compounds similar to Dimethylmalonic acid, 2-chloro-6-fluorophenyl isohexyl 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.