Chemical Properties of m-Toluic acid, 3-methylbutyl ester (CAS 6640-76-2)

m-Toluic acid, 3-methylbutyl ester

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InChI
InChI=1S/C13H18O2/c1-10(2)7-8-15-13(14)12-6-4-5-11(3)9-12/h4-6,9-10H,7-8H2,1-3H3
InChI Key
LWJZTQRODMEFPX-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
Cc1cccc(C(=O)OCCC(C)C)c1
Molecular Weight1
206.28
CAS
6640-76-2
Other Names
  • Benzoic acid, 3-methyl-, 3-methylbutyl ester
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Physical Properties

Property Value Unit Source
Δf -75.00 kJ/mol Joback Calculated Property
Δfgas -336.67 kJ/mol Joback Calculated Property
Δfus 22.34 kJ/mol Joback Calculated Property
Δvap 56.24 kJ/mol Joback Calculated Property
log10WS -3.62 Crippen Calculated Property
logPoct/wat 3.198 Crippen Calculated Property
McVol 177.710 ml/mol McGowan Calculated Property
Pc 2276.24 kPa Joback Calculated Property
Inp 1573.00 NIST
Tboil 604.35 K Joback Calculated Property
Tc 812.28 K Joback Calculated Property
Tfus 332.37 K Joback Calculated Property
Vc 0.673 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [443.45; 526.19] J/mol×K [604.35; 812.28] Show Hide
Cp,gas 443.45 J/mol×K 604.35 Joback Calculated Property
Cp,gas 459.38 J/mol×K 639.01 Joback Calculated Property
Cp,gas 474.43 J/mol×K 673.66 Joback Calculated Property
Cp,gas 488.62 J/mol×K 708.32 Joback Calculated Property
Cp,gas 501.96 J/mol×K 742.97 Joback Calculated Property
Cp,gas 514.48 J/mol×K 777.63 Joback Calculated Property
Cp,gas 526.19 J/mol×K 812.28 Joback Calculated Property
η [0.0001539; 0.0020794] Pa×s [332.37; 604.35] Show Hide
η 0.0020794 Pa×s 332.37 Joback Calculated Property
η 0.0010385 Pa×s 377.70 Joback Calculated Property
η 0.0006019 Pa×s 423.03 Joback Calculated Property
η 0.0003877 Pa×s 468.36 Joback Calculated Property
η 0.0002698 Pa×s 513.69 Joback Calculated Property
η 0.0001992 Pa×s 559.02 Joback Calculated Property
η 0.0001539 Pa×s 604.35 Joback Calculated Property

Similar Compounds

Butyl m-toluate. Isophthalic acid, ethyl 3-methylbutyl ester. Benzoic acid, 4-methyl, 3-methylbutyl ester. Benzoic acid, 3-methyl-, 4-methoxy-2-methylbutyl ester. m-Toluic acid, pentyl ester. Isophthalic acid, butyl 3-methylbutyl ester. m-Toluic acid, hexyl ester. m-Toluic acid, heptyl ester. m-Toluic acid, undecyl ester. m-Toluic acid, decyl ester. m-Toluic acid, octyl ester. m-Toluic acid, octadecyl ester. m-Toluic acid, nonyl ester. m-Toluic acid, tridecyl ester. m-Toluic acid, hexadecyl ester.

Find more compounds similar to m-Toluic acid, 3-methylbutyl ester.

Sources

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