Chemical Properties of Isophthalic acid, di(but-3-yn-2-yl) ester

Isophthalic acid, di(but-3-yn-2-yl) ester

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InChI
InChI=1S/C16H14O4/c1-5-11(3)19-15(17)13-8-7-9-14(10-13)16(18)20-12(4)6-2/h1-2,7-12H,3-4H3
InChI Key
VCYIIORTCZDJDT-UHFFFAOYSA-N
Formula
C16H14O4
SMILES
C#CC(C)OC(=O)c1cccc(C(=O)OC(C)C#C)c1
Molecular Weight1
270.28
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Physical Properties

Property Value Unit Source
Δf 160.04 kJ/mol Joback Calculated Property
Δfgas -64.87 kJ/mol Joback Calculated Property
Δfus 35.33 kJ/mol Joback Calculated Property
Δvap 71.40 kJ/mol Joback Calculated Property
log10WS -4.28 Crippen Calculated Property
logPoct/wat 2.044 Crippen Calculated Property
McVol 210.220 ml/mol McGowan Calculated Property
Pc 2417.12 kPa Joback Calculated Property
Inp [1933.00; 1933.00]   Show Hide
Inp 1933.00 NIST
Inp 1933.00 NIST
Tboil 729.08 K Joback Calculated Property
Tc 960.99 K Joback Calculated Property
Tfus 517.28 K Joback Calculated Property
Vc 0.783 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [549.36; 616.06] J/mol×K [729.08; 960.99] Show Hide
Cp,gas 549.36 J/mol×K 729.08 Joback Calculated Property
Cp,gas 562.96 J/mol×K 767.73 Joback Calculated Property
Cp,gas 575.54 J/mol×K 806.38 Joback Calculated Property
Cp,gas 587.10 J/mol×K 845.03 Joback Calculated Property
Cp,gas 597.69 J/mol×K 883.69 Joback Calculated Property
Cp,gas 607.33 J/mol×K 922.34 Joback Calculated Property
Cp,gas 616.06 J/mol×K 960.99 Joback Calculated Property

Similar Compounds

m-Toluic acid, but-3-yn-2-yl ester. Isophthalic acid, but-3-yn-2-yl propyl ester. 3-Trifluoromethylbenzoic acid, but-3-yn-2-yl ester. Isophthalic acid, but-3-yn-2-yl isobutyl ester. p-Toluic acid, but-3-yn-2-yl ester. 4-Fluorobenzoic acid, but-3-yn-2-yl ester. Isophthalic acid, but-3-yn-2-yl butyl ester. 3-Bromobenzoic acid, but-3-yn-2-yl ester. 4-Bromobenzoic acid, but-3-yn-2-yl ester. 4-Chlorobenzoic acid, but-3-yn-2-yl ester. 4-(Trifluoromethyl)benzoic acid, but-3-yn-2-yl ester. 3-Fluorobenzoic acid, but-3-yn-2-yl ester. 1,3-Benzenedicarboxylic acid, diethyl ester. 2-Bromobenzoic acid, but-3-yn-2-yl ester. 2-Chlorobenzoic acid, but-3-yn-2-yl ester.

Find more compounds similar to Isophthalic acid, di(but-3-yn-2-yl) ester.

Sources

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