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

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

InChI
InChI=1S/C17H19ClO2/c1-12(2)9-10-14(11-13(3)4)20-17(19)15-7-5-6-8-16(15)18/h5-8,13-14H,1,11H2,2-4H3
InChI Key
KNPYXCMBMIIPQA-UHFFFAOYSA-N
Formula
C17H19ClO2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1ccccc1Cl
Molecular Weight1
290.79
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Physical Properties

Property Value Unit Source
ΔfusH° 35.49 kJ/mol Joback Calculated Property
logPoct/wat 4.491 Crippen Calculated Property
McVol 233.410 ml/mol McGowan Calculated Property
Inp [1925.00; 1925.00]   Show Hide
Inp 1925.00 NIST
Inp 1925.00 NIST
Tboil 575.29 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 [609.32; 689.78] J/mol×K [720.55; 949.99] Show Hide
Cp,gas 609.32 J/mol×K 720.55 Joback Calculated Property
Cp,gas 625.57 J/mol×K 758.79 Joback Calculated Property
Cp,gas 640.62 J/mol×K 797.03 Joback Calculated Property
Cp,gas 654.52 J/mol×K 835.27 Joback Calculated Property
Cp,gas 667.31 J/mol×K 873.51 Joback Calculated Property
Cp,gas 679.05 J/mol×K 911.75 Joback Calculated Property
Cp,gas 689.78 J/mol×K 949.99 Joback Calculated Property

Similar Compounds

2-Chlorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Chlorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Cyanobenzoic 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. 4-Fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 2-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 3-fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, butyl 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 propyl 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. 2-Fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 1-Naphthoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

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

Sources

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