Chemical Properties of 2-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester

2-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C17H19F3O2/c1-4-5-8-13(11-12(2)3)22-16(21)14-9-6-7-10-15(14)17(18,19)20/h6-7,9-10,12-13H,4,11H2,1-3H3
InChI Key
VYVPNNHYVAJNSZ-UHFFFAOYSA-N
Formula
C17H19F3O2
SMILES
CCC#CC(CC(C)C)OC(=O)c1ccccc1C(F)(F)F
Molecular Weight1
312.33
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Physical Properties

Property Value Unit Source
ΔfusH° 35.71 kJ/mol Joback Calculated Property
log10WS -5.17 Relay (1.0) Calculated Property
logPoct/wat 4.690 Crippen Calculated Property
McVol 230.780 ml/mol McGowan Calculated Property
Inp [1695.00; 1695.00]   Show Hide
Inp 1695.00 NIST
Inp 1695.00 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 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 [631.46; 713.36] J/mol×K [681.14; 884.47] Show Hide
Cp,gas 631.46 J/mol×K 681.14 Joback Calculated Property
Cp,gas 647.68 J/mol×K 715.03 Joback Calculated Property
Cp,gas 662.80 J/mol×K 748.92 Joback Calculated Property
Cp,gas 676.89 J/mol×K 782.81 Joback Calculated Property
Cp,gas 689.98 J/mol×K 816.70 Joback Calculated Property
Cp,gas 702.12 J/mol×K 850.59 Joback Calculated Property
Cp,gas 713.36 J/mol×K 884.47 Joback Calculated Property

Similar Compounds

2-Trifluoromethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 3-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester. o-Toluic acid, 2-methyloct-5-yn-4-yl ester. 4-(Trifluoromethyl)benzoic acid, 2-methyloct-5-yn-4-yl ester. 2-Trifluoromethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 3-Trifluoromethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. o-Toluic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester. 4-(Trifluoromethyl)benzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. m-Toluic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, ethyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, isobutyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl propyl ester. Isophthalic acid, butyl 2-methyloct-5-yn-4-yl ester. 4-Cyanobenzoic acid, 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to 2-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester.

Sources

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