Chemical Properties of o-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

o-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI
InChI=1S/C19H24O2/c1-6-9-16(5)18(13-12-14(2)3)21-19(20)17-11-8-7-10-15(17)4/h7-8,10-11,16,18H,2,6,9H2,1,3-5H3
InChI Key
QBRFVKAVLNIFSW-UHFFFAOYSA-N
Formula
C19H24O2
SMILES
C=C(C)C#CC(OC(=O)c1ccccc1C)C(C)CCC
Molecular Weight1
284.39
Other Names
  • o-toluylic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester
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Physical Properties

Property Value Unit Source
ΔfusH° 36.47 kJ/mol Joback Calculated Property
logPoct/wat 4.536 Crippen Calculated Property
McVol 249.350 ml/mol McGowan Calculated Property
Inp 1932.40 NIST
Tboil 587.16 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 [342.99; 797.27] 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 A2.93200e+00
Coefficient B1.45758e+00
Coefficient C-8.18820e-04
Coefficient D1.55580e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 342.99 J/mol×K 273.00 Calculated Property
Cp,gas 423.00 J/mol×K 353.78 Calculated Property
Cp,gas 494.47 J/mol×K 434.56 Calculated Property
Cp,gas 557.91 J/mol×K 515.33 Calculated Property
Cp,gas 613.80 J/mol×K 596.11 Calculated Property
Cp,gas 662.64 J/mol×K 676.89 Calculated Property
Cp,gas 704.91 J/mol×K 757.67 Calculated Property
Cp,gas 741.11 J/mol×K 838.44 Calculated Property
Cp,gas 771.74 J/mol×K 919.22 Calculated Property
Cp,gas 797.27 J/mol×K 1000.00 Calculated Property

Similar Compounds

m-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2-Trifluoromethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. p-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-(Ttifluoromethyl)benzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Ethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. 3-Trifluoromethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. o-Toluic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Cyanobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ethyl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester. 4-Butylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl pentyl ester. Isophthalic acid, butyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. 1-Naphthoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Find more compounds similar to o-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

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