Chemical Properties of 3-Trifluoromethylbenzoic acid, tridec-2-ynyl ester

3-Trifluoromethylbenzoic acid, tridec-2-ynyl ester

InChI
InChI=1S/C21H27F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-26-20(25)18-14-13-15-19(17-18)21(22,23)24/h13-15,17H,2-10,16H2,1H3
InChI Key
SQKBUNFJYIWWGF-UHFFFAOYSA-N
Formula
C21H27F3O2
SMILES
CCCCCCCCCCC#CCOC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
368.43
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Physical Properties

Property Value Unit Source
ΔfusH° 53.11 kJ/mol Joback Calculated Property
logPoct/wat 6.396 Crippen Calculated Property
McVol 287.140 ml/mol McGowan Calculated Property
Pc 1214.90 kPa Joback Calculated Property
Inp [2210.00; 2210.00]   Show Hide
Inp 2210.00 NIST
Inp 2210.00 NIST
Tboil 609.86 K Relay (1.0) Calculated Property
Tfus 307.89 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, 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 [853.77; 939.01] J/mol×K [773.54; 965.77] Show Hide
Cp,gas 853.77 J/mol×K 773.54 Joback Calculated Property
Cp,gas 870.45 J/mol×K 805.58 Joback Calculated Property
Cp,gas 886.07 J/mol×K 837.62 Joback Calculated Property
Cp,gas 900.69 J/mol×K 869.66 Joback Calculated Property
Cp,gas 914.35 J/mol×K 901.69 Joback Calculated Property
Cp,gas 927.11 J/mol×K 933.73 Joback Calculated Property
Cp,gas 939.01 J/mol×K 965.77 Joback Calculated Property

Similar Compounds

4-(Trifluoromethyl)benzoic acid, tridec-2-ynyl ester. 2-Trifluoromethylbenzoic acid, tridec-2-ynyl ester. Isophthalic acid, ethyl tridec-2-ynyl ester. m-Toluic acid, tridec-2-ynyl ester. Isophthalic acid, propyl tridec-2-ynyl ester. Isophthalic acid, isobutyl tridec-2-ynyl ester. Isophthalic acid, butyl tridec-2-ynyl ester. Isophthalic acid, octyl tridec-2-ynyl ester. Isophthalic acid, nonyl tridec-2-ynyl ester. Isophthalic acid, heptyl tridec-2-ynyl ester. Isophthalic acid, pentyl tridec-2-ynyl ester. Isophthalic acid, hexyl tridec-2-ynyl ester. 4-Cyanobenzoic acid, tridec-2-ynyl ester. 4-Fluorobenzoic acid, tridec-2-ynyl ester. 3-Fluorobenzoic acid, tridec-2-ynyl ester.

Find more compounds similar to 3-Trifluoromethylbenzoic acid, tridec-2-ynyl ester.

Sources

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