Chemical Properties of Glutaric acid, tridec-2-yn-1-yl 2,3,4-trifluorophenyl ester

Glutaric acid, tridec-2-yn-1-yl 2,3,4-trifluorophenyl ester

InChI
InChI=1S/C24H31F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-18-30-21(28)14-13-15-22(29)31-20-17-16-19(25)23(26)24(20)27/h16-17H,2-10,13-15,18H2,1H3
InChI Key
VXHVYYVPKLVYMQ-UHFFFAOYSA-N
Formula
C24H31F3O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCC(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
440.50
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° 71.89 kJ/mol Joback Calculated Property
logPoct/wat 6.257 Crippen Calculated Property
McVol 336.850 ml/mol McGowan Calculated Property
Inp 2825.00 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [505.38; 1106.17] 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 A7.67130e+01
Coefficient B1.80242e+00
Coefficient C-8.79740e-04
Coefficient D1.06780e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 505.38 J/mol×K 273.00 Calculated Property
Cp,gas 608.99 J/mol×K 353.78 Calculated Property
Cp,gas 702.60 J/mol×K 434.56 Calculated Property
Cp,gas 786.54 J/mol×K 515.33 Calculated Property
Cp,gas 861.16 J/mol×K 596.11 Calculated Property
Cp,gas 926.79 J/mol×K 676.89 Calculated Property
Cp,gas 983.77 J/mol×K 757.67 Calculated Property
Cp,gas 1032.43 J/mol×K 838.44 Calculated Property
Cp,gas 1073.12 J/mol×K 919.22 Calculated Property
Cp,gas 1106.17 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, tridec-2-yn-1-yl 3-fluorophenyl ester. Glutaric acid, tridec-2-yn-1-yl 4-fluoro-2-methoxyphenyl ester. Succinic acid, tridec-2-yn-1-yl 2-fluorophenyl ester. Glutaric acid, 2,2-dichloroethyl 2,3,4-trifluorophenyl ester. Glutaric acid, tridec-2-yn-1-yl 2-fluoro-3-trifluoromethylphenyl ester. Glutaric acid, hex-4-yn-3-yl 2,3,4-trifluorophenyl ester. Succinic acid, tridec-2-yn-1-yl 3-fluorophenyl ester. Glutaric acid, 8-chlorooctyl 2,3,4-trifluorophenyl ester. Glutaric acid, cyclohexylmethyl 2,3,4-trifluorophenyl ester. Glutaric acid, hept-2-yl 2,3,4-trifluorophenyl ester. Glutaric acid, dec-2-yl 2,3,4-trifluorophenyl ester. Glutaric acid, tridec-2-yn-1-yl 2-bromo-4-fluorophenyl ester. Glutaric acid, tridec-2-yn-1-yl 2,4-dichlorophenyl ester. Glutaric acid, tridec-2-yn-1-yl 3-ethylphenyl ester. Glutaric acid, tridec-2-yn-1-yl 4-bromophenyl ester.

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 2,3,4-trifluorophenyl 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.