Chemical Properties of 4-Cyanobenzoic acid, 3-methyl-2-enyl ester

4-Cyanobenzoic acid, 3-methyl-2-enyl ester

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InChI
InChI=1S/C13H13NO2/c1-10(2)7-8-16-13(15)12-5-3-11(9-14)4-6-12/h3-7H,8H2,1-2H3
InChI Key
DLINGEMBUUQSLN-UHFFFAOYSA-N
Formula
C13H13NO2
SMILES
CC(C)=CCOC(=O)c1ccc(C#N)cc1
Molecular Weight1
215.25
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Physical Properties

Property Value Unit Source
Δf 132.29 kJ/mol Joback Calculated Property
Δfgas -59.08 kJ/mol Joback Calculated Property
Δfus 26.26 kJ/mol Joback Calculated Property
Δvap 67.14 kJ/mol Joback Calculated Property
log10WS -3.59 Crippen Calculated Property
logPoct/wat 2.681 Crippen Calculated Property
McVol 174.790 ml/mol McGowan Calculated Property
Pc 2329.27 kPa Joback Calculated Property
Inp 1706.00 NIST
Tboil 710.91 K Joback Calculated Property
Tc 939.39 K Joback Calculated Property
Tfus 393.32 K Joback Calculated Property
Vc 0.686 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [447.41; 509.45] J/mol×K [710.91; 939.39] Show Hide
Cp,gas 447.41 J/mol×K 710.91 Joback Calculated Property
Cp,gas 459.76 J/mol×K 748.99 Joback Calculated Property
Cp,gas 471.25 J/mol×K 787.07 Joback Calculated Property
Cp,gas 481.93 J/mol×K 825.15 Joback Calculated Property
Cp,gas 491.82 J/mol×K 863.23 Joback Calculated Property
Cp,gas 500.99 J/mol×K 901.31 Joback Calculated Property
Cp,gas 509.45 J/mol×K 939.39 Joback Calculated Property

Similar Compounds

2-Buten-1-ol, 3-methyl-, benzoate. 4-(Trifluoromethyl)benzoic acid, 3-methylbut-2-enyl ester. p-Toluic acid, 3-methylbut-2-enyl ester. Isophthalic acid, di(3-methylbut-2-en-1-yl) ester. 4-Fluorobenzoic acid, 3-methylbut-2-enyl ester. 4-Bromobenzoic acid, 3-methylbut-2-enyl ester. 4-Chlorobenzoic acid, 3-methylbut-2-enyl ester. Isophthalic acid, ethyl 3-methylbut-2-en-1-yl ester. Terephthalic acid, di(but-2-enyl) ester. 3-Bromobenzoic acid. 3-methylbut-2-enyl ester. 3-Fluorobenzoic acid, 3-methylbut-2-enyl ester. 4-Nitrobenzoic acid, 3-methylbut-2-enyl ester. 3-Trifluoromethylbenzoic acid, 3-methylbut-2-enyl ester. 4-Cyanobenzoic acid, pent-2-en-4-ynyl ester. 1-Naphthoic acid, 3-methylbut-2-enyl ester.

Find more compounds similar to 4-Cyanobenzoic acid, 3-methyl-2-enyl ester.

Sources

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