Chemical Properties of Benzoic acid, 4-methyl-, 3-methyl-2-butyl ester (CAS 212261-12-6)

Benzoic acid, 4-methyl-, 3-methyl-2-butyl ester

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InChI
InChI=1S/C13H18O2/c1-9(2)11(4)15-13(14)12-7-5-10(3)6-8-12/h5-9,11H,1-4H3
InChI Key
UWWVEOGQBMAWBE-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
Cc1ccc(C(=O)OC(C)C(C)C)cc1
Molecular Weight1
206.28
CAS
212261-12-6
Other Names
  • 4-Methylbenzoic acid, 3-methylbut-2-yl ester
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Physical Properties

Property Value Unit Source
Δf -77.44 kJ/mol Joback Calculated Property
Δfgas -341.95 kJ/mol Joback Calculated Property
Δfus 18.82 kJ/mol Joback Calculated Property
Δvap 55.85 kJ/mol Joback Calculated Property
log10WS -3.73 Crippen Calculated Property
logPoct/wat 3.196 Crippen Calculated Property
McVol 177.710 ml/mol McGowan Calculated Property
Pc 2293.71 kPa Joback Calculated Property
Inp 1530.00 NIST
Tboil 603.91 K Joback Calculated Property
Tc 816.07 K Joback Calculated Property
Tfus 317.37 K Joback Calculated Property
Vc 0.667 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [443.86; 528.17] J/mol×K [603.91; 816.07] Show Hide
Cp,gas 443.86 J/mol×K 603.91 Joback Calculated Property
Cp,gas 460.17 J/mol×K 639.27 Joback Calculated Property
Cp,gas 475.54 J/mol×K 674.63 Joback Calculated Property
Cp,gas 490.01 J/mol×K 709.99 Joback Calculated Property
Cp,gas 503.59 J/mol×K 745.35 Joback Calculated Property
Cp,gas 516.30 J/mol×K 780.71 Joback Calculated Property
Cp,gas 528.17 J/mol×K 816.07 Joback Calculated Property
η [0.0001436; 0.0026930] Pa×s [317.37; 603.91] Show Hide
η 0.0026930 Pa×s 317.37 Joback Calculated Property
η 0.0012004 Pa×s 365.13 Joback Calculated Property
η 0.0006450 Pa×s 412.88 Joback Calculated Property
η 0.0003943 Pa×s 460.64 Joback Calculated Property
η 0.0002643 Pa×s 508.40 Joback Calculated Property
η 0.0001898 Pa×s 556.15 Joback Calculated Property
η 0.0001436 Pa×s 603.91 Joback Calculated Property

Similar Compounds

Terephthalic acid, di(3-methylbut-2-yl) ester. Benzoic acid, 3-methyl-, 3-methylbut-2-yl ester. Terephthalic acid, isobutyl 3-methylbut-2-yl ester. Benzoic acid, 1,2-dimethylpropyl ester. Isophthalic acid, di(3-methylbut-2-yl) ester. 4-Fluorobenzoic acid, 3-methylbut-2-yl ester. Isophthalic acid, ethyl 3-methylbut-2-yl ester. Isophthalic acid, isobutyl 3-methylbut-2-yl ester. Benzoic acid, 4-chloro, 1,2-dimethylpropyl ester. Terephthalic acid, 3-methylbut-2-yl pentyl ester. Terephthalic acid, hexyl 3-methylbut-2-yl ester. Terephthalic acid, di(2-methylpent-3-yl) ester. Terephthalic acid, heptyl 3-methylbut-2-yl ester. Terephthalic acid, dodecyl 3-methylbut-2-yl ester. Terephthalic acid, 3-methylbut-2-yl hexadecyl ester.

Find more compounds similar to Benzoic acid, 4-methyl-, 3-methyl-2-butyl ester.

Sources

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