Chemical Properties of 4-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

4-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI
InChI=1S/C18H21ClO2/c1-5-6-14(4)17(12-7-13(2)3)21-18(20)15-8-10-16(19)11-9-15/h8-11,14,17H,2,5-6H2,1,3-4H3
InChI Key
VSKMPLKDSXMUOU-UHFFFAOYSA-N
Formula
C18H21ClO2
SMILES
C=C(C)C#CC(OC(=O)c1ccc(Cl)cc1)C(C)CCC
Molecular Weight1
304.81
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Physical Properties

Property Value Unit Source
ΔfusH° 36.50 kJ/mol Joback Calculated Property
logPoct/wat 4.881 Crippen Calculated Property
McVol 247.500 ml/mol McGowan Calculated Property
Inp [2006.00; 2006.00]   Show Hide
Inp 2006.00 NIST
Inp 2006.00 NIST
Tboil 599.99 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 [668.84; 750.19] J/mol×K [761.30; 988.45] Show Hide
Cp,gas 668.84 J/mol×K 761.30 Joback Calculated Property
Cp,gas 685.10 J/mol×K 799.16 Joback Calculated Property
Cp,gas 700.22 J/mol×K 837.02 Joback Calculated Property
Cp,gas 714.24 J/mol×K 874.88 Joback Calculated Property
Cp,gas 727.21 J/mol×K 912.74 Joback Calculated Property
Cp,gas 739.18 J/mol×K 950.59 Joback Calculated Property
Cp,gas 750.19 J/mol×K 988.45 Joback Calculated Property

Similar Compounds

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

Sources

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