Chemical Properties of Fumaric acid, naphth-1-yl 2-chloro-6-fluorophenyl ester

Fumaric acid, naphth-1-yl 2-chloro-6-fluorophenyl ester

InChI
InChI=1S/C20H12ClFO4/c21-15-8-4-9-16(22)20(15)26-19(24)12-11-18(23)25-17-10-3-6-13-5-1-2-7-14(13)17/h1-12H/b12-11+
InChI Key
UKLIXFSFAODRDU-VAWYXSNFSA-N
Formula
C20H12ClFO4
SMILES
O=C(C=CC(=O)Oc1cccc2ccccc12)Oc1c(F)cccc1Cl
Molecular Weight1
370.76
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° 44.54 kJ/mol Joback Calculated Property
IE 8.30 eV Relay (1.0) Calculated Property
log10WS -6.30 Relay (1.0) Calculated Property
logPoct/wat 4.699 Crippen Calculated Property
McVol 250.270 ml/mol McGowan Calculated Property
Inp [2859.00; 2859.00]   Show Hide
Inp 2859.00 NIST
Inp 2859.00 NIST
Tfus 382.51 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [698.65; 748.39] J/mol×K [937.72; 1184.08] Show Hide
Cp,gas 698.65 J/mol×K 937.72 Joback Calculated Property
Cp,gas 709.01 J/mol×K 978.78 Joback Calculated Property
Cp,gas 718.43 J/mol×K 1019.84 Joback Calculated Property
Cp,gas 726.98 J/mol×K 1060.90 Joback Calculated Property
Cp,gas 734.76 J/mol×K 1101.96 Joback Calculated Property
Cp,gas 741.87 J/mol×K 1143.02 Joback Calculated Property
Cp,gas 748.39 J/mol×K 1184.08 Joback Calculated Property

Similar Compounds

Fumaric acid, 4-chlorophenyl 2-chloro-6-fluorophenyl ester. Fumaric acid, naphth-1-yl 2-fluorophenyl ester. Fumaric acid, 2,4-dichlorophenyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2-chlorophenyl 2-fluorophenyl ester. Fumaric acid, 2,6-dichlorophenyl 2-fluorophenyl ester. Fumaric acid, 4-bromophenyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2-methoxyphenyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2,4-dichlorophenyl 2-fluorophenyl ester. Fumaric acid, 4-cyanophenyl 2-chloro-6-fluorophenyl ester. Fumaric acid, naphth-1-yl 2,4,6-trichlorophenyl ester. Fumaric acid, 2,4,6-trichlorophenyl 2-fluorophenyl ester. Fumaric acid, 2,5-dichlorophenyl 2-fluorophenyl ester. Fumaric acid, naphth-1-yl 2,3-dichlorophenyl ester. Fumaric acid, naphth-2-yl 2-fluorophenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 1-naphthyl ester.

Find more compounds similar to Fumaric acid, naphth-1-yl 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.