Chemical Properties of Diethylmalonic acid, butyl 2-chloro-6-fluorophenyl ester

Diethylmalonic acid, butyl 2-chloro-6-fluorophenyl ester

InChI
InChI=1S/C17H22ClFO4/c1-4-7-11-22-15(20)17(5-2,6-3)16(21)23-14-12(18)9-8-10-13(14)19/h8-10H,4-7,11H2,1-3H3
InChI Key
ZIQYTOPBTYYENL-UHFFFAOYSA-N
Formula
C17H22ClFO4
SMILES
CCCCOC(=O)C(CC)(CC)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
Δfus 41.65 kJ/mol Joback Calculated Property
logPoct/wat 4.534 Crippen Calculated Property
McVol 255.520 ml/mol McGowan Calculated Property
Inp 2059.00 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 [729.44; 799.16] J/mol×K [775.11; 977.22] Show Hide
Cp,gas 729.44 J/mol×K 775.11 Joback Calculated Property
Cp,gas 743.68 J/mol×K 808.79 Joback Calculated Property
Cp,gas 756.83 J/mol×K 842.48 Joback Calculated Property
Cp,gas 768.92 J/mol×K 876.16 Joback Calculated Property
Cp,gas 779.98 J/mol×K 909.85 Joback Calculated Property
Cp,gas 790.05 J/mol×K 943.53 Joback Calculated Property
Cp,gas 799.16 J/mol×K 977.22 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 2-chloro-6-fluorophenyl pentyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl propyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl hexyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl hepyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl dodecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl undecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl pentadecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl tetradecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl hexadecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl decyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl octyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl isobutyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl ethyl ester. Diethylmalonic acid, butyl 2,6-dichlorophenyl ester.

Find more compounds similar to Diethylmalonic acid, butyl 2-chloro-6-fluorophenyl 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.