Chemical Properties of Benzoic acid, 2,3-dimethyl- (CAS 603-79-2)

Benzoic acid, 2,3-dimethyl-

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InChI
InChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key
RIZUCYSQUWMQLX-UHFFFAOYSA-N
Formula
C9H10O2
SMILES
Cc1cccc(C(=O)O)c1C
Molecular Weight1
150.17
CAS
603-79-2
Other Names
  • 2,3-Dimethylbenzoic acid
  • Hemellitic acid
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Physical Properties

Property Value Unit Source
Δcsolid -4520.39 ± 0.79 kJ/mol NIST
Δf -147.69 kJ/mol Joback Calculated Property
Δfgas [-345.80; -345.80] kJ/mol Show Hide
Δfgas -345.80 ± 1.70 kJ/mol NIST
Δfgas -345.80 kJ/mol NIST
Δfsolid [-450.41; -450.40] kJ/mol Show Hide
Δfsolid -450.40 ± 1.70 kJ/mol NIST
Δfsolid -450.41 ± 0.96 kJ/mol NIST
Δfus 18.02 kJ/mol Joback Calculated Property
Δsub [104.60; 104.60] kJ/mol Show Hide
Δsub 104.60 ± 0.40 kJ/mol NIST
Δsub 104.60 kJ/mol NIST
Δsub 104.60 ± 0.40 kJ/mol NIST
Δvap 62.65 kJ/mol Joback Calculated Property
log10WS -2.48 Crippen Calculated Property
logPoct/wat 2.002 Crippen Calculated Property
McVol 121.350 ml/mol McGowan Calculated Property
Pc 3782.33 kPa Joback Calculated Property
Tboil 588.01 K Joback Calculated Property
Tc 793.17 K Joback Calculated Property
Tfus 416.70 ± 2.00 K NIST
Vc 0.457 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [279.40; 331.47] J/mol×K [588.01; 793.17] Show Hide
Cp,gas 279.40 J/mol×K 588.01 Joback Calculated Property
Cp,gas 289.42 J/mol×K 622.20 Joback Calculated Property
Cp,gas 298.88 J/mol×K 656.40 Joback Calculated Property
Cp,gas 307.80 J/mol×K 690.59 Joback Calculated Property
Cp,gas 316.19 J/mol×K 724.78 Joback Calculated Property
Cp,gas 324.08 J/mol×K 758.97 Joback Calculated Property
Cp,gas 331.47 J/mol×K 793.17 Joback Calculated Property
Cp,solid 216.30 J/mol×K 299.65 NIST
η [0.0001000; 0.0031453] Pa×s [353.40; 588.01] Show Hide
η 0.0031453 Pa×s 353.40 Joback Calculated Property
η 0.0013296 Pa×s 392.50 Joback Calculated Property
η 0.0006569 Pa×s 431.60 Joback Calculated Property
η 0.0003649 Pa×s 470.70 Joback Calculated Property
η 0.0002218 Pa×s 509.81 Joback Calculated Property
η 0.0001448 Pa×s 548.91 Joback Calculated Property
η 0.0001000 Pa×s 588.01 Joback Calculated Property
ΔfusH [18.30; 18.30] kJ/mol [417.60; 417.60] Show Hide
ΔfusH 18.30 kJ/mol 417.60 NIST
ΔfusH 18.30 kJ/mol 417.60 NIST
ΔsubH 102.30 ± 0.40 kJ/mol 326.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [405.57; 579.05] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.45341e+01
Coefficient B-4.53712e+03
Coefficient C-8.71000e+01
Temperature range, min.405.57
Temperature range, max.579.05
Pvap 1.33 kPa 405.57 Calculated Property
Pvap 3.01 kPa 424.85 Calculated Property
Pvap 6.21 kPa 444.12 Calculated Property
Pvap 11.90 kPa 463.40 Calculated Property
Pvap 21.42 kPa 482.67 Calculated Property
Pvap 36.50 kPa 501.95 Calculated Property
Pvap 59.32 kPa 521.22 Calculated Property
Pvap 92.50 kPa 540.50 Calculated Property
Pvap 139.12 kPa 559.77 Calculated Property
Pvap 202.64 kPa 579.05 Calculated Property

Similar Compounds

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

Find more compounds similar to Benzoic acid, 2,3-dimethyl-.

Sources

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