Chemical Properties of Benzoic acid, 4-methyl-, methyl ester (CAS 99-75-2)

Benzoic acid, 4-methyl-, methyl ester

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InChI
InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3
InChI Key
QSSJZLPUHJDYKF-UHFFFAOYSA-N
Formula
C9H10O2
SMILES
COC(=O)c1ccc(C)cc1
Molecular Weight1
150.17
CAS
99-75-2
Other Names
  • 4-(Methoxycarbonyl)toluene
  • 4-Methylbenzoic acid, methyl ester
  • Methyl 4-toluate
  • Methyl ester of 4-methylbenzoic acid
  • Methyl p-toluenecarboxylate
  • NSC 24761
  • methyl 4-methylbenzoate
  • methyl p-methylbenzoate
  • methyl p-toluate
  • p-(Methoxycarbonyl)toluene
  • p-Carbomethoxytoluene
  • p-Toluylic acid, methyl ester
  • p-toluic acid, methyl ester
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Physical Properties

Property Value Unit Source
PAff 861.50 kJ/mol NIST
BasG 830.60 kJ/mol NIST
Δf -106.24 kJ/mol Joback Calculated Property
Δfgas -312.60 ± 6.70 kJ/mol NIST
Δfsolid -393.30 ± 2.40 kJ/mol NIST
Δfus 20.20 kJ/mol Vapor P...
Δsub [80.60; 83.30] kJ/mol Show Hide
Δsub 83.30 ± 0.30 kJ/mol NIST
Δsub 80.60 ± 6.30 kJ/mol NIST
Δsub 80.70 kJ/mol NIST
Δvap 47.72 kJ/mol Joback Calculated Property
IE [8.40; 9.00] eV Show Hide
IE 8.40 eV NIST
IE 8.94 ± 0.04 eV NIST
IE 9.00 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 [205.66; 1215.60]   Show Hide
Inp 1215.00 NIST
Inp 1215.60 NIST
Inp 1194.00 NIST
Inp 1199.00 NIST
Inp Outlier 205.66 NIST
Inp 1215.60 NIST
I [1725.00; 1755.00]   Show Hide
I 1725.00 NIST
I 1755.00 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 [20.77; 20.78] kJ/mol [162.50; 306.50] Show Hide
ΔfusH 20.78 kJ/mol 162.50 NIST
ΔfusH 20.77 kJ/mol 306.50 NIST
ΔsubH 51.60 kJ/mol 448.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 376.70 K 2.00 NIST

Similar Compounds

Benzoic acid, 4-formyl-, methyl ester. Ethyl 4-methylbenzoate. 4-Methylbenzoic acid anhydride. 1,4-Benzenedicarboxylic acid, dimethyl ester. 4-Methylbenzoic acid, 2,2,2-trichloroethyl ester. 1,4-Benzenedicarboxylic acid, [4-(methoxycarbonyl)phenyl]methyl methyl ester. Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester. Benzoic acid, 3-methyl-, methyl ester. Benzoic acid, 3,4-dimethyl-, methyl ester. p-Toluic acid, benzyl ester. Benzoic acid, 4-methyl-. 4-Methoxycarbonylbenzoic acid. Benzoic acid, 4-cyano-, methyl ester. Benzoic acid, 4-ethyl-, methyl ester. Benzoic acid, methyl ester.

Find more compounds similar to Benzoic acid, 4-methyl-, methyl ester.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.