Chemical Properties of 3-Trifluoromethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

3-Trifluoromethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

InChI
InChI=1S/C18H19F3O2/c1-12(2)8-9-16(10-13(3)4)23-17(22)14-6-5-7-15(11-14)18(19,20)21/h5-7,11,13,16H,1,10H2,2-4H3
InChI Key
UQZDZKZRHBKEMQ-UHFFFAOYSA-N
Formula
C18H19F3O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
324.34
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Physical Properties

Property Value Unit Source
ΔfusH° 35.71 kJ/mol Joback Calculated Property
logPoct/wat 4.856 Crippen Calculated Property
McVol 240.570 ml/mol McGowan Calculated Property
Inp [1696.00; 1696.00]   Show Hide
Inp 1696.00 NIST
Inp 1696.00 NIST
Tboil 556.65 K Relay (1.0) Calculated Property
Tfus 323.32 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [344.91; 768.36] 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 A-2.35900e+00
Coefficient B1.52376e+00
Coefficient C-9.85420e-04
Coefficient D2.32380e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 344.91 J/mol×K 273.00 Calculated Property
Cp,gas 423.67 J/mol×K 353.78 Calculated Property
Cp,gas 492.78 J/mol×K 434.56 Calculated Property
Cp,gas 552.99 J/mol×K 515.33 Calculated Property
Cp,gas 605.03 J/mol×K 596.11 Calculated Property
Cp,gas 649.63 J/mol×K 676.89 Calculated Property
Cp,gas 687.53 J/mol×K 757.67 Calculated Property
Cp,gas 719.46 J/mol×K 838.44 Calculated Property
Cp,gas 746.16 J/mol×K 919.22 Calculated Property
Cp,gas 768.36 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-(Trifluoromethyl)benzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, di(2,7-dimethyloct-7-en-5-yn-4-yl) ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ethyl ester. 2-Trifluoromethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isobutyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl propyl ester. Isophthalic acid, butyl 2,7-dimethyloct-7-en-5-yn-4-yl ester. 3-Trifluoromethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Cyanobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl pentyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl heptyl ester. 4-Fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl hexyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isohexyl ester.

Find more compounds similar to 3-Trifluoromethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Sources

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