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

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

InChI
InChI=1S/C17H19ClO2/c1-12(2)5-10-16(11-13(3)4)20-17(19)14-6-8-15(18)9-7-14/h6-9,13,16H,1,11H2,2-4H3
InChI Key
COCOCAKCCLBCEG-UHFFFAOYSA-N
Formula
C17H19ClO2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1ccc(Cl)cc1
Molecular Weight1
290.79
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Physical Properties

Property Value Unit Source
ΔfusH° 33.91 kJ/mol Joback Calculated Property
logPoct/wat 4.491 Crippen Calculated Property
McVol 233.410 ml/mol McGowan Calculated Property
Inp [1926.00; 1926.00]   Show Hide
Inp 1926.00 NIST
Inp 1926.00 NIST
Tboil 585.09 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 [614.06; 693.88] J/mol×K [738.42; 969.47] Show Hide
Cp,gas 614.06 J/mol×K 738.42 Joback Calculated Property
Cp,gas 630.05 J/mol×K 776.93 Joback Calculated Property
Cp,gas 644.90 J/mol×K 815.44 Joback Calculated Property
Cp,gas 658.67 J/mol×K 853.94 Joback Calculated Property
Cp,gas 671.39 J/mol×K 892.45 Joback Calculated Property
Cp,gas 683.11 J/mol×K 930.96 Joback Calculated Property
Cp,gas 693.88 J/mol×K 969.47 Joback Calculated Property

Similar Compounds

2-Chlorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Chlorobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, di(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, butyl 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. 4-Bromobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl 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 isobutyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl pentyl 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 isohexyl ester. 1-Naphthoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl hexyl ester.

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

Sources

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