Chemical Properties of Benzoic acid, 2-methyl- (CAS 118-90-1)

Benzoic acid, 2-methyl-

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InChI
InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key
ZWLPBLYKEWSWPD-UHFFFAOYSA-N
Formula
C8H8O2
SMILES
Cc1ccccc1C(=O)O
Molecular Weight1
136.15
CAS
118-90-1
Other Names
  • 2-Methylbenzoic acid
  • Orthotoluic acid
  • o-Methylbenzoic acid
  • o-Toluic acid
  • o-Toluylic acid
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Physical Properties

Property Value Unit Source
PAff 838.80 kJ/mol NIST
BasG 807.80 kJ/mol NIST
Δcsolid [-3875.00; -3858.00] kJ/mol Show Hide
Δcsolid -3874.90 ± 0.80 kJ/mol NIST
Δcsolid -3874.40 ± 4.60 kJ/mol NIST
Δcsolid -3875.00 ± 0.75 kJ/mol NIST
Δcsolid -3864.00 kJ/mol NIST
Δcsolid -3858.00 kJ/mol NIST
Δf -146.48 kJ/mol Joback Calculated Property
Δfgas [-331.20; -320.60] kJ/mol Show Hide
Δfgas -320.60 ± 1.50 kJ/mol NIST
Δfgas -320.60 kJ/mol NIST
Δfgas -331.20 kJ/mol NIST
Δfsolid [-427.10; -416.50] kJ/mol Show Hide
Δfsolid -416.50 ± 1.50 kJ/mol NIST
Δfsolid -416.50 ± 0.92 kJ/mol NIST
Δfsolid -427.10 ± 3.80 kJ/mol NIST
Δfus 15.81 kJ/mol Joback Calculated Property
Δsub [95.90; 95.90] kJ/mol Show Hide
Δsub 95.90 ± 0.10 kJ/mol NIST
Δsub 95.90 ± 0.10 kJ/mol NIST
Δsub 95.90 kJ/mol NIST
Δvap 59.77 kJ/mol Joback Calculated Property
IE [9.10; 9.40] eV Show Hide
IE 9.10 eV NIST
IE 9.40 eV NIST
log10WS -2.06 Aq. Sol...
logPoct/wat 1.693 Crippen Calculated Property
McVol 107.260 ml/mol McGowan Calculated Property
Pc 4356.87 kPa Joback Calculated Property
Tboil 531.70 K NIST
Tc 763.00 K Vapor-l...
Tfus [376.50; 380.00] K Show Hide
Tfus 377.63 K Aq. Sol...
Tfus 380.00 ± 1.50 K NIST
Tfus 376.50 ± 0.05 K NIST
Tfus 377.65 ± 2.00 K NIST
Tfus 376.90 ± 0.30 K NIST
Vc 0.401 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [235.84; 283.75] J/mol×K [560.15; 767.50] Show Hide
Cp,gas 235.84 J/mol×K 560.15 Joback Calculated Property
Cp,gas 245.16 J/mol×K 594.71 Joback Calculated Property
Cp,gas 253.91 J/mol×K 629.27 Joback Calculated Property
Cp,gas 262.13 J/mol×K 663.82 Joback Calculated Property
Cp,gas 269.83 J/mol×K 698.38 Joback Calculated Property
Cp,gas 277.03 J/mol×K 732.94 Joback Calculated Property
Cp,gas 283.75 J/mol×K 767.50 Joback Calculated Property
Cp,solid 174.90 J/mol×K 298.00 NIST
η [0.0001208; 0.0051891] Pa×s [329.61; 560.15] Show Hide
η 0.0051891 Pa×s 329.61 Joback Calculated Property
η 0.0019990 Pa×s 368.03 Joback Calculated Property
η 0.0009222 Pa×s 406.46 Joback Calculated Property
η 0.0004863 Pa×s 444.88 Joback Calculated Property
η 0.0002839 Pa×s 483.30 Joback Calculated Property
η 0.0001794 Pa×s 521.73 Joback Calculated Property
η 0.0001208 Pa×s 560.15 Joback Calculated Property
ΔfusH [20.17; 20.17] kJ/mol [376.90; 376.90] Show Hide
ΔfusH 20.17 kJ/mol 376.90 NIST
ΔfusH 20.17 kJ/mol 376.90 NIST
ΔfusH 20.17 kJ/mol 376.90 NIST
Psub [2.80e-03; 0.13] kPa [331.20; 373.00] Show Hide
Psub 2.80e-03 kPa 331.20 Benzoic...
Psub 4.21e-03 kPa 335.20 Benzoic...
Psub 7.67e-03 kPa 341.20 Benzoic...
Psub 0.01 kPa 345.20 Benzoic...
Psub 0.02 kPa 348.20 Benzoic...
Psub 0.02 kPa 351.20 Benzoic...
Psub 0.03 kPa 355.40 Benzoic...
Psub 0.04 kPa 358.60 Benzoic...
Psub 0.04 kPa 358.70 Benzoic...
Psub 0.05 kPa 361.20 Benzoic...
Psub 0.07 kPa 364.20 Benzoic...
Psub 0.08 kPa 367.40 Benzoic...
Psub 0.13 kPa 373.00 Benzoic...
ΔfusS 53.50 J/mol×K 376.90 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [0.24; 202.63] kPa [376.85; 561.58] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.54533e+01
Coefficient B-4.69014e+03
Coefficient C-9.91310e+01
Temperature range, min.376.85
Temperature range, max.561.58
Pvap 0.24 kPa 376.85 Calculated Property
Pvap 0.76 kPa 397.38 Calculated Property
Pvap 2.10 kPa 417.90 Calculated Property
Pvap 5.10 kPa 438.43 Calculated Property
Pvap 11.23 kPa 458.95 Calculated Property
Pvap 22.69 kPa 479.48 Calculated Property
Pvap 42.67 kPa 500.00 Calculated Property
Pvap 75.44 kPa 520.53 Calculated Property
Pvap 126.51 kPa 541.05 Calculated Property
Pvap 202.63 kPa 561.58 Calculated Property
Pvap [0.24; 3834.56] kPa [376.85; 751.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.31614e+02
Coefficient B-1.40488e+04
Coefficient C-1.62792e+01
Coefficient D5.55990e-06
Temperature range, min.376.85
Temperature range, max.751.00
Pvap 0.24 kPa 376.85 Calculated Property
Pvap 2.10 kPa 418.42 Calculated Property
Pvap 11.45 kPa 459.99 Calculated Property
Pvap 43.95 kPa 501.57 Calculated Property
Pvap 130.60 kPa 543.14 Calculated Property
Pvap 320.94 kPa 584.71 Calculated Property
Pvap 683.97 kPa 626.28 Calculated Property
Pvap 1309.13 kPa 667.86 Calculated Property
Pvap 2310.21 kPa 709.43 Calculated Property
Pvap 3834.56 kPa 751.00 Calculated Property

Similar Compounds

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

Find more compounds similar to Benzoic acid, 2-methyl-.

Mixtures

Sources

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