Chemical Properties of 4-Chlorobenzoic acid, 2-methyloct-5-yn-4-yl ester

4-Chlorobenzoic acid, 2-methyloct-5-yn-4-yl ester

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InChI
InChI=1S/C16H19ClO2/c1-4-5-6-15(11-12(2)3)19-16(18)13-7-9-14(17)10-8-13/h7-10,12,15H,4,11H2,1-3H3
InChI Key
HTRZUGYDEBUERV-UHFFFAOYSA-N
Formula
C16H19ClO2
SMILES
CCC#CC(CC(C)C)OC(=O)c1ccc(Cl)cc1
Molecular Weight1
278.77
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Physical Properties

Property Value Unit Source
Δf 138.69 kJ/mol Joback Calculated Property
Δfgas -147.31 kJ/mol Joback Calculated Property
Δfus 33.91 kJ/mol Joback Calculated Property
Δvap 69.06 kJ/mol Joback Calculated Property
log10WS -5.41 Crippen Calculated Property
logPoct/wat 4.325 Crippen Calculated Property
McVol 223.620 ml/mol McGowan Calculated Property
Pc 1970.05 kPa Joback Calculated Property
Inp [1873.00; 1873.00]   Show Hide
Inp 1873.00 NIST
Inp 1873.00 NIST
Tboil 718.98 K Joback Calculated Property
Tc 946.36 K Joback Calculated Property
Tfus 487.20 K Joback Calculated Property
Vc 0.847 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [584.87; 665.17] J/mol×K [718.98; 946.36] Show Hide
Cp,gas 584.87 J/mol×K 718.98 Joback Calculated Property
Cp,gas 600.89 J/mol×K 756.88 Joback Calculated Property
Cp,gas 615.80 J/mol×K 794.77 Joback Calculated Property
Cp,gas 629.65 J/mol×K 832.67 Joback Calculated Property
Cp,gas 642.48 J/mol×K 870.57 Joback Calculated Property
Cp,gas 654.30 J/mol×K 908.46 Joback Calculated Property
Cp,gas 665.17 J/mol×K 946.36 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. Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester. 4-Cyanobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, ethyl 2-methyloct-5-yn-4-yl ester. 4-Fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, butyl 2-methyloct-5-yn-4-yl ester. p-Toluic acid, 2-methyloct-5-yn-4-yl ester. 4-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl propyl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl pentyl ester. Isophthalic acid, isobutyl 2-methyloct-5-yn-4-yl ester. 2-Chlorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, isohexyl 2-methyloct-5-yn-4-yl ester. 4-(Trifluoromethyl)benzoic acid, 2-methyloct-5-yn-4-yl ester.

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

Sources

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