Chemical Properties of 2,4,6-Trimethylmandelic acid

2,4,6-Trimethylmandelic acid

InChI
InChI=1S/C11H14O3/c1-6-4-7(2)9(8(3)5-6)10(12)11(13)14/h4-5,10,12H,1-3H3,(H,13,14)
InChI Key
IRQXVXUXARGLQG-UHFFFAOYSA-N
Formula
C11H14O3
SMILES
Cc1cc(C)c(C(O)C(=O)O)c(C)c1
Molecular Weight1
194.23
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Physical Properties

Property Value Unit Source
ΔfH°gas -572.86 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 27.83 kJ/mol Joback Calculated Property
ΔvapH° 89.43 kJ/mol Relay (1.0) Calculated Property
IE 8.61 eV Relay (1.0) Calculated Property
logPoct/wat 1.730 Crippen Calculated Property
McVol 155.400 ml/mol McGowan Calculated Property
Tboil 558.03 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [423.80; 477.13] J/mol×K [730.15; 938.50] Show Hide
Cp,gas 423.80 J/mol×K 730.15 Joback Calculated Property
Cp,gas 434.19 J/mol×K 764.87 Joback Calculated Property
Cp,gas 443.94 J/mol×K 799.60 Joback Calculated Property
Cp,gas 453.08 J/mol×K 834.32 Joback Calculated Property
Cp,gas 461.64 J/mol×K 869.05 Joback Calculated Property
Cp,gas 469.65 J/mol×K 903.77 Joback Calculated Property
Cp,gas 477.13 J/mol×K 938.50 Joback Calculated Property
η [0.0000389; 0.0005295] Pa×s [484.13; 730.15] Show Hide
η 0.0005295 Pa×s 484.13 Joback Calculated Property
η 0.0002891 Pa×s 525.13 Joback Calculated Property
η 0.0001723 Pa×s 566.14 Joback Calculated Property
η 0.0001101 Pa×s 607.14 Joback Calculated Property
η 0.0000745 Pa×s 648.14 Joback Calculated Property
η 0.0000528 Pa×s 689.15 Joback Calculated Property
η 0.0000389 Pa×s 730.15 Joback Calculated Property

Similar Compounds

1-(2,4-dimethylphenyl)ethanol. Mesitylacetic acid. 1-(2,5-Dimethylphenyl)ethanol. 1H-Indene-1,2-diol, 2,3-dihydro-, trans-. 1H-Indene-1,2-diol, 2,3-dihydro-, cis-. BENZENEACETIC ACID, 2,4-DIMETHYL-. Pyridine, 1,1'-[1,2-phenylenebis(1-oxo-2,1-ethanediyl)]bis[1,2,3,4-tetrahydro-. 1,2-Naphthalenediol, 1,2,3,4-tetrahydro-, cis-. 1,2-Naphthalenediol, 1,2,3,4-tetrahydro-, trans-. cis-1,2-Indanediol, DTBS. 7-(2-Methylbutyryl)-9-echimidinylretronecine. Cacalohastine. Anthracene, 1,2,3,4,5,6,7,8-octahydro-cis-1,2-diol, DTBS. 8-Azabicyclo[3.2.1]octane, 3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8-methyl-, endo-. Pinobanksin-3-isobutanoate, bis-TMS.

Find more compounds similar to 2,4,6-Trimethylmandelic acid.

Sources

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