Chemical Properties of Benzoic acid, 3-methyl-, methyl ester (CAS 99-36-5)

Benzoic acid, 3-methyl-, methyl ester

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InChI
InChI=1S/C9H10O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-6H,1-2H3
InChI Key
CPXCDEMFNPKOEF-UHFFFAOYSA-N
Formula
C9H10O2
SMILES
COC(=O)c1cccc(C)c1
Molecular Weight1
150.17
CAS
99-36-5
Other Names
  • m-Toluic acid, methyl ester
  • Methyl m-methylbenzoate
  • Methyl m-toluate
  • Methyl 3-methylbenzoate
  • Methyl 3-toluate
  • 3-Methylbenzoic acid, methyl ester
  • meta-Toluic acid, methyl ester
  • m-Toluylic acid, methyl ester
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Physical Properties

Property Value Unit Source
PAff 857.70 kJ/mol NIST
BasG 826.80 kJ/mol NIST
Δf -106.24 kJ/mol Joback Calculated Property
Δfgas -248.83 kJ/mol Joback Calculated Property
Δfus 15.50 kJ/mol Joback Calculated Property
Δvap 47.72 kJ/mol Joback Calculated Property
IE [8.50; 9.20] eV Show Hide
IE 8.50 eV NIST
IE 9.20 eV NIST
log10WS -2.19 Crippen Calculated Property
logPoct/wat 1.782 Crippen Calculated Property
McVol 121.350 ml/mol McGowan Calculated Property
Pc 3380.21 kPa Joback Calculated Property
Inp [203.97; 1235.00]   Show Hide
Inp 1206.00 NIST
Inp 1205.70 NIST
Inp 1235.00 NIST
Inp 1171.00 NIST
Inp 1190.00 NIST
Inp 203.97 NIST
Inp 1190.00 NIST
Inp 203.97 NIST
Inp 1205.70 NIST
I 1744.00 NIST
Tboil 513.27 K Joback Calculated Property
Tc 730.64 K Joback Calculated Property
Tfus 302.29 K Joback Calculated Property
Vc 0.456 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [256.24; 320.16] J/mol×K [513.27; 730.64] Show Hide
Cp,gas 256.24 J/mol×K 513.27 Joback Calculated Property
Cp,gas 268.48 J/mol×K 549.50 Joback Calculated Property
Cp,gas 280.07 J/mol×K 585.73 Joback Calculated Property
Cp,gas 291.03 J/mol×K 621.95 Joback Calculated Property
Cp,gas 301.35 J/mol×K 658.18 Joback Calculated Property
Cp,gas 311.06 J/mol×K 694.41 Joback Calculated Property
Cp,gas 320.16 J/mol×K 730.64 Joback Calculated Property
η [0.0002227; 0.0017319] Pa×s [302.29; 513.27] Show Hide
η 0.0017319 Pa×s 302.29 Joback Calculated Property
η 0.0010297 Pa×s 337.45 Joback Calculated Property
η 0.0006754 Pa×s 372.62 Joback Calculated Property
η 0.0004764 Pa×s 407.78 Joback Calculated Property
η 0.0003552 Pa×s 442.94 Joback Calculated Property
η 0.0002765 Pa×s 478.11 Joback Calculated Property
η 0.0002227 Pa×s 513.27 Joback Calculated Property
ΔfusH [17.14; 21.15] kJ/mol [162.50; 269.90] Show Hide
ΔfusH 17.14 kJ/mol 162.50 NIST
ΔfusH 21.15 kJ/mol 269.90 NIST
ΔvapH [53.50; 60.30] kJ/mol [296.00; 429.50] Show Hide
ΔvapH 60.30 ± 0.20 kJ/mol 296.00 NIST
ΔvapH 53.50 kJ/mol 388.00 NIST
ΔvapH 54.80 kJ/mol 429.50 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 386.20 K 3.60 NIST

Similar Compounds

Benzoic acid, 3,4-dimethyl-, methyl ester. Ethyl m-methylbenzoate. Benzoic acid, 3,5-dimethyl-, methyl ester. Methyl 3-bromomethylbenzoate. Benzoic acid, 3-methyl-, 2,2,2-trichloroethyl ester. 1,2-Benzenedicarboxylic acid, 4-methyl-, dimethyl ester. Benzoic acid, 3-methyl-. Benzoic acid, (3-methylphenyl)methyl ester. 1,3-Benzenedicarboxylic acid, dimethyl ester. Benzoic acid, 2,3-dimethyl-, methyl ester. Benzoic acid, 2,5-dimethyl-, methyl ester. Methyl 4-chloro-3-methylbenzoate. 3-Methylbenzoic acid, 2-methoxyethyl ester. Benzoic acid, 4-methyl-, methyl ester. Benzoic acid, 3,4-dimethyl-, ethyl ester.

Find more compounds similar to Benzoic acid, 3-methyl-, methyl ester.

Sources

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