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

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

InChI
InChI=1S/C19H24O2/c1-6-7-16(5)18(13-8-14(2)3)21-19(20)17-11-9-15(4)10-12-17/h9-12,16,18H,2,6-7H2,1,3-5H3
InChI Key
AANNJIDQKSINNQ-UHFFFAOYSA-N
Formula
C19H24O2
SMILES
C=C(C)C#CC(OC(=O)c1ccc(C)cc1)C(C)CCC
Molecular Weight1
284.39
Other Names
  • p-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 [1992.60; 1992.60]   Show Hide
Inp 1992.60 NIST
Inp 1992.60 NIST
Tboil 593.73 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [690.57; 781.40] J/mol×K [728.88; 948.02] Show Hide
Cp,gas 690.57 J/mol×K 728.88 Joback Calculated Property
Cp,gas 708.63 J/mol×K 765.40 Joback Calculated Property
Cp,gas 725.47 J/mol×K 801.93 Joback Calculated Property
Cp,gas 741.11 J/mol×K 838.45 Joback Calculated Property
Cp,gas 755.62 J/mol×K 874.97 Joback Calculated Property
Cp,gas 769.03 J/mol×K 911.50 Joback Calculated Property
Cp,gas 781.40 J/mol×K 948.02 Joback Calculated Property

Similar Compounds

4-Cyanobenzoic 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. m-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. 4-Bromobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Ethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. o-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ethyl ester. 4-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester. 4-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 3-Trifluoromethylbenzoic 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. 3-Bromobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

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

Sources

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