Chemical Properties of o-Toluic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

o-Toluic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

InChI
InChI=1S/C18H22O2/c1-13(2)10-11-16(12-14(3)4)20-18(19)17-9-7-6-8-15(17)5/h6-9,14,16H,1,12H2,2-5H3
InChI Key
FJIDCSVODBXXTA-UHFFFAOYSA-N
Formula
C18H22O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1ccccc1C
Molecular Weight1
270.37
Other Names
  • o-toluylic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester
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Physical Properties

Property Value Unit Source
ΔfusH° 33.88 kJ/mol Joback Calculated Property
IE 8.57 eV Relay (1.0) Calculated Property
logPoct/wat 4.146 Crippen Calculated Property
McVol 235.260 ml/mol McGowan Calculated Property
Inp 1857.70 NIST
Tboil 572.14 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, 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 [635.37; 725.05] J/mol×K [706.00; 928.69] Show Hide
Cp,gas 635.37 J/mol×K 706.00 Joback Calculated Property
Cp,gas 653.23 J/mol×K 743.12 Joback Calculated Property
Cp,gas 669.86 J/mol×K 780.23 Joback Calculated Property
Cp,gas 685.32 J/mol×K 817.35 Joback Calculated Property
Cp,gas 699.64 J/mol×K 854.46 Joback Calculated Property
Cp,gas 712.87 J/mol×K 891.58 Joback Calculated Property
Cp,gas 725.05 J/mol×K 928.69 Joback Calculated Property

Similar Compounds

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

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

Sources

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