Chemical Properties of Benzoic acid, 2,6-dimethyl- (CAS 632-46-2)

Benzoic acid, 2,6-dimethyl-

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InChI
InChI=1S/C9H10O2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key
HCBHQDKBSKYGCK-UHFFFAOYSA-N
Formula
C9H10O2
SMILES
Cc1cccc(C)c1C(=O)O
Molecular Weight1
150.17
CAS
632-46-2
Other Names
  • 2,6-Dimethylbenzoic acid
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Physical Properties

Property Value Unit Source
Δcsolid -4530.10 ± 0.79 kJ/mol NIST
Δf -147.69 kJ/mol Joback Calculated Property
Δfgas [-341.60; -341.60] kJ/mol Show Hide
Δfgas -341.60 ± 1.70 kJ/mol NIST
Δfgas -341.60 kJ/mol NIST
Δfsolid [-440.70; -440.70] kJ/mol Show Hide
Δfsolid -440.70 ± 1.70 kJ/mol NIST
Δfsolid -440.70 ± 0.96 kJ/mol NIST
Δfus 18.02 kJ/mol Joback Calculated Property
Δsub [99.10; 106.40] kJ/mol Show Hide
Δsub 99.10 ± 0.20 kJ/mol NIST
Δsub 99.10 kJ/mol NIST
Δsub 99.10 ± 0.20 kJ/mol NIST
Δsub 106.40 ± 0.30 kJ/mol NIST
Δvap 62.65 kJ/mol Joback Calculated Property
IE 8.90 eV NIST
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 353.40 K Joback Calculated Property
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 204.20 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
ΔsubH [98.20; 104.50] kJ/mol [316.50; 336.00] Show Hide
ΔsubH 98.20 ± 0.20 kJ/mol 316.50 NIST
ΔsubH 104.50 ± 0.30 kJ/mol 336.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [0.18; 202.67] kPa [389.15; 572.29] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.66357e+01
Coefficient B-5.42303e+03
Coefficient C-9.33970e+01
Temperature range, min.389.15
Temperature range, max.572.29
Pvap 0.18 kPa 389.15 Calculated Property
Pvap 0.59 kPa 409.50 Calculated Property
Pvap 1.68 kPa 429.85 Calculated Property
Pvap 4.21 kPa 450.20 Calculated Property
Pvap 9.55 kPa 470.55 Calculated Property
Pvap 19.94 kPa 490.89 Calculated Property
Pvap 38.75 kPa 511.24 Calculated Property
Pvap 70.80 kPa 531.59 Calculated Property
Pvap 122.61 kPa 551.94 Calculated Property
Pvap 202.67 kPa 572.29 Calculated Property

Similar Compounds

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

Find more compounds similar to Benzoic acid, 2,6-dimethyl-.

Sources

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