Chemical Properties of Benzoic acid, 2,4,5-trimethyl- (CAS 528-90-5)

Benzoic acid, 2,4,5-trimethyl-

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InChI
InChI=1S/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12)
InChI Key
QENJZWZWAWWESF-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
Cc1cc(C)c(C(=O)O)cc1C
Molecular Weight1
164.20
CAS
528-90-5
Other Names
  • 2,4,5-Trimethylbenzoic acid
  • Durylic acid
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Physical Properties

Property Value Unit Source
Δcsolid -5154.50 ± 1.30 kJ/mol NIST
Δf -148.90 kJ/mol Joback Calculated Property
Δfgas -386.20 ± 2.10 kJ/mol NIST
Δfsolid -495.80 ± 2.00 kJ/mol NIST
Δfus 20.22 kJ/mol Joback Calculated Property
Δsub [109.60; 109.60] kJ/mol Show Hide
Δsub 109.60 ± 0.50 kJ/mol NIST
Δsub 109.60 kJ/mol NIST
Δsub 109.60 ± 0.50 kJ/mol NIST
Δvap 65.54 kJ/mol Joback Calculated Property
log10WS -2.96 Crippen Calculated Property
logPoct/wat 2.310 Crippen Calculated Property
McVol 135.440 ml/mol McGowan Calculated Property
Pc 3314.37 kPa Joback Calculated Property
Tboil 615.87 K Joback Calculated Property
Tc 818.94 K Joback Calculated Property
Tfus 377.19 K Joback Calculated Property
Vc 0.512 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [324.63; 380.55] J/mol×K [615.87; 818.94] Show Hide
Cp,gas 324.63 J/mol×K 615.87 Joback Calculated Property
Cp,gas 335.32 J/mol×K 649.71 Joback Calculated Property
Cp,gas 345.44 J/mol×K 683.56 Joback Calculated Property
Cp,gas 355.00 J/mol×K 717.40 Joback Calculated Property
Cp,gas 364.04 J/mol×K 751.25 Joback Calculated Property
Cp,gas 372.55 J/mol×K 785.09 Joback Calculated Property
Cp,gas 380.55 J/mol×K 818.94 Joback Calculated Property
η [0.0000834; 0.0020113] Pa×s [377.19; 615.87] Show Hide
η 0.0020113 Pa×s 377.19 Joback Calculated Property
η 0.0009188 Pa×s 416.97 Joback Calculated Property
η 0.0004811 Pa×s 456.75 Joback Calculated Property
η 0.0002795 Pa×s 496.53 Joback Calculated Property
η 0.0001759 Pa×s 536.31 Joback Calculated Property
η 0.0001181 Pa×s 576.09 Joback Calculated Property
η 0.0000834 Pa×s 615.87 Joback Calculated Property
ΔsubH 108.30 ± 0.50 kJ/mol 335.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [408.22; 601.16] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.36366e+01
Coefficient B-4.26807e+03
Coefficient C-8.84900e+01
Temperature range, min.408.22
Temperature range, max.601.16
Pvap 1.33 kPa 408.22 Calculated Property
Pvap 3.08 kPa 429.66 Calculated Property
Pvap 6.46 kPa 451.10 Calculated Property
Pvap 12.47 kPa 472.53 Calculated Property
Pvap 22.44 kPa 493.97 Calculated Property
Pvap 38.06 kPa 515.41 Calculated Property
Pvap 61.39 kPa 536.85 Calculated Property
Pvap 94.78 kPa 558.28 Calculated Property
Pvap 140.90 kPa 579.72 Calculated Property
Pvap 202.63 kPa 601.16 Calculated Property

Similar Compounds

Benzoic acid, 2,5-dimethyl-. 2,3,4,5-Tetramethylbenzoic acid. Benzoic acid, 2,4-dimethyl-. Benzoic acid, 2,3-dimethyl-. 1,2-Benzenedicarboxylic acid, 4-methyl-. Benzoic acid, 3,4-dimethyl-. Benzoic acid, 2-methyl-. 2,3,5,6-Tetramethylbenzoic acid. Benzoic acid, 2,4,6-trimethyl-. 2,3,6-Trimethylbenzoic acid. Benzenemethanol, 2,4,5-trimethyl-. Benzoic acid, 2,6-dimethyl-. Benzoic acid, 2,5-dimethyl-, methyl ester. 5-Fluoro-2-methylbenzoic acid. Benzoic acid, 2,4-dimethyl-, methyl ester.

Find more compounds similar to Benzoic acid, 2,4,5-trimethyl-.

Sources

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