Chemical Properties of Succinic acid, tridec-2-yn-1-yl 2-fluorophenyl ester

Succinic acid, tridec-2-yn-1-yl 2-fluorophenyl ester

InChI
InChI=1S/C23H31FO4/c1-2-3-4-5-6-7-8-9-10-11-14-19-27-22(25)17-18-23(26)28-21-16-13-12-15-20(21)24/h12-13,15-16H,2-10,17-19H2,1H3
InChI Key
RFKLEPPJRQZUAC-UHFFFAOYSA-N
Formula
C23H31FO4
SMILES
CCCCCCCCCCC#CCOC(=O)CCC(=O)Oc1ccccc1F
Molecular Weight1
390.49
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Physical Properties

Property Value Unit Source
ΔfusH° 63.92 kJ/mol Joback Calculated Property
logPoct/wat 5.589 Crippen Calculated Property
McVol 319.220 ml/mol McGowan Calculated Property
Inp [2747.00; 2747.00]   Show Hide
Inp 2747.00 NIST
Inp 2747.00 NIST
Tboil 640.30 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [462.67; 1046.52] 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 A3.68420e+01
Coefficient B1.80282e+00
Coefficient C-9.26620e-04
Coefficient D1.33480e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 462.67 J/mol×K 273.00 Calculated Property
Cp,gas 564.58 J/mol×K 353.78 Calculated Property
Cp,gas 656.24 J/mol×K 434.56 Calculated Property
Cp,gas 738.08 J/mol×K 515.33 Calculated Property
Cp,gas 810.52 J/mol×K 596.11 Calculated Property
Cp,gas 873.99 J/mol×K 676.89 Calculated Property
Cp,gas 928.90 J/mol×K 757.67 Calculated Property
Cp,gas 975.68 J/mol×K 838.44 Calculated Property
Cp,gas 1014.74 J/mol×K 919.22 Calculated Property
Cp,gas 1046.52 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, tridec-2-yn-1-yl 3-fluorophenyl ester. Glutaric acid, tridec-2-yn-1-yl 3-fluorophenyl ester. Succinic acid, tridec-2-yn-1-yl 3-chlorophenyl ester. Succinic acid, tridec-2-yn-1-yl 2-fluoro-3-(trifluoromethyl)phenyl ester. Glutaric acid, tridec-2-yn-1-yl 2,3,4-trifluorophenyl ester. Succinic acid, tridec-2-yn-1-yl 2-naphthyl ester. Succinic acid, tridec-2-yn-1-yl 2-chlorophenyl ester. Succinic acid, tridec-2-yn-1-yl 3-methoxyphenyl ester. Succinic acid, 2-fluorophenyl non-5-yn-3-yl ester. Succinic acid, 2-fluorophenyl hexyl ester. Succinic acid, tridec-2-yn-1-yl 4-chloro-2-methoxyphenyl ester. Glutaric acid, tridec-2-yn-1-yl 4-fluoro-2-methoxyphenyl ester. Succinic acid, hex-4-yn-3-yl 2-fluorophenyl ester. Glutaric acid, tridec-2-yn-1-yl 2-fluoro-3-trifluoromethylphenyl ester. Glutaric acid, tridec-2-yn-1-yl 2-bromo-4-fluorophenyl ester.

Find more compounds similar to Succinic acid, tridec-2-yn-1-yl 2-fluorophenyl ester.

Sources

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