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

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

InChI
InChI=1S/C28H44ClFO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-33-26(31)28(2,3)27(32)34-25-23(29)20-19-21-24(25)30/h19-21H,4-18,22H2,1-3H3
InChI Key
XLJMBAGVLMAMHN-UHFFFAOYSA-N
Formula
C28H44ClFO4
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
499.11
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° 70.14 kJ/mol Joback Calculated Property
log10WS -8.41 Relay (1.0) Calculated Property
logPoct/wat 8.825 Crippen Calculated Property
McVol 410.510 ml/mol McGowan Calculated Property
Pc 747.33 kPa Joback Calculated Property
Inp [3191.00; 3191.00]   Show Hide
Inp 3191.00 NIST
Inp 3191.00 NIST
Tboil 657.80 K Relay (1.0) Calculated Property
Tfus 318.86 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [1384.70; 1460.95] J/mol×K [1026.79; 1261.62] Show Hide
Cp,gas 1384.70 J/mol×K 1026.79 Joback Calculated Property
Cp,gas 1401.31 J/mol×K 1065.93 Joback Calculated Property
Cp,gas 1416.24 J/mol×K 1105.07 Joback Calculated Property
Cp,gas 1429.57 J/mol×K 1144.20 Joback Calculated Property
Cp,gas 1441.40 J/mol×K 1183.34 Joback Calculated Property
Cp,gas 1451.83 J/mol×K 1222.48 Joback Calculated Property
Cp,gas 1460.95 J/mol×K 1261.62 Joback Calculated Property

Similar Compounds

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

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