Chemical Properties of 4-Chlorobenzoic acid, hex-4-yn-3-yl ester

4-Chlorobenzoic acid, hex-4-yn-3-yl ester

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InChI
InChI=1S/C13H13ClO2/c1-3-5-12(4-2)16-13(15)10-6-8-11(14)9-7-10/h6-9,12H,4H2,1-2H3
InChI Key
AZSLZDAEKLKXKB-UHFFFAOYSA-N
Formula
C13H13ClO2
SMILES
CC#CC(CC)OC(=O)c1ccc(Cl)cc1
Molecular Weight1
236.69
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Physical Properties

Property Value Unit Source
Δf 115.87 kJ/mol Joback Calculated Property
Δfgas -80.11 kJ/mol Joback Calculated Property
Δfus 29.66 kJ/mol Joback Calculated Property
Δvap 62.78 kJ/mol Joback Calculated Property
log10WS -4.40 Crippen Calculated Property
logPoct/wat 3.299 Crippen Calculated Property
McVol 181.350 ml/mol McGowan Calculated Property
Pc 2568.89 kPa Joback Calculated Property
Inp 1679.00 NIST
Tboil 650.78 K Joback Calculated Property
Tc 887.00 K Joback Calculated Property
Tfus 468.39 K Joback Calculated Property
Vc 0.684 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [429.04; 500.44] J/mol×K [650.78; 887.00] Show Hide
Cp,gas 429.04 J/mol×K 650.78 Joback Calculated Property
Cp,gas 443.25 J/mol×K 690.15 Joback Calculated Property
Cp,gas 456.51 J/mol×K 729.52 Joback Calculated Property
Cp,gas 468.83 J/mol×K 768.89 Joback Calculated Property
Cp,gas 480.24 J/mol×K 808.26 Joback Calculated Property
Cp,gas 490.77 J/mol×K 847.63 Joback Calculated Property
Cp,gas 500.44 J/mol×K 887.00 Joback Calculated Property

Similar Compounds

2-Chlorobenzoic acid, hex-4-yn-3-yl ester. 4-Fluorobenzoic acid, hex-4-yn-3-yl ester. 4-Cyanobenzoic acid, hex-4-yn-3-yl ester. 4-Bromobenzoic acid, hex-4-yn-3-yl ester. Isophthalic acid, di(hex-4-yn-3-yl) ester. Isophthalic acid, hex-4-yn-3-yl propyl ester. Isophthalic acid, ethyl hex-4-yn-3-yl ester. p-Toluic acid, hex-4-yn-3-yl ester. 4-(Trifluoromethyl)benzoic acid, hex-4-yn-3-yl ester. p-Anisic acid, hex-4-yn-3-yl ester. 3-Fluorobenzoic acid, hex-4-yn-3-yl ester. 3-Bromobenzoic acid, hex-4-yn-3-yl ester. Isophthalic acid, hex-4-yn-3-yl isobutyl ester. 1-Naphthoic acid, hex-4-yn-3-yl ester. 4-Nitrobenzoic acid, hex-4-yn-3-yl ester.

Find more compounds similar to 4-Chlorobenzoic acid, hex-4-yn-3-yl ester.

Sources

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