Chemical Properties of Benzoic acid, 4-(1-methylethyl)-, methyl ester

Benzoic acid, 4-(1-methylethyl)-, methyl ester

InChI
InChI=1S/C11H14O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h4-8H,1-3H3
InChI Key
IPIVTJSCIHXKOE-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
COC(=O)c1ccc(C(C)C)cc1
Molecular Weight1
178.23
Other Names
  • 4-Isopropylmethyl benzenecarboxylate
  • Benzoic acid, p-isopropyl-, methyl ester
  • Methyl 4-isopropylbenzoate
  • Methyl cumate
  • Methyl cuminate
  • Methyl p-isopropylbenzoate
  • methyl 4-(1-methylethyl)benzoate
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Physical Properties

Property Value Unit Source
ω 0.5211 Relay (1.0) Calculated Property
ΔfH°gas -353.16 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 18.74 kJ/mol Joback Calculated Property
ΔvapH° 73.17 kJ/mol Relay (1.0) Calculated Property
IE 8.95 eV Relay (1.0) Calculated Property
log10WS -3.76 Relay (1.0) Calculated Property
logPoct/wat 2.597 Crippen Calculated Property
McVol 149.530 ml/mol McGowan Calculated Property
Pc 2643.39 kPa Joback Calculated Property
Tboil 513.43 K Relay (1.0) Calculated Property
Tc 721.19 K Relay (1.0) Calculated Property
Tfus 284.96 K Relay (1.0) Calculated Property
Vc 0.542 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [341.99; 418.90] J/mol×K [540.72; 753.07] Show Hide
Cp,gas 341.99 J/mol×K 540.72 Joback Calculated Property
Cp,gas 356.87 J/mol×K 576.11 Joback Calculated Property
Cp,gas 370.91 J/mol×K 611.50 Joback Calculated Property
Cp,gas 384.11 J/mol×K 646.89 Joback Calculated Property
Cp,gas 396.50 J/mol×K 682.29 Joback Calculated Property
Cp,gas 408.09 J/mol×K 717.68 Joback Calculated Property
Cp,gas 418.90 J/mol×K 753.07 Joback Calculated Property
η [0.0001680; 0.0034553] Pa×s [280.00; 540.72] Show Hide
η 0.0034553 Pa×s 280.00 Joback Calculated Property
η 0.0014880 Pa×s 323.45 Joback Calculated Property
η 0.0007823 Pa×s 366.91 Joback Calculated Property
η 0.0004713 Pa×s 410.36 Joback Calculated Property
η 0.0003129 Pa×s 453.81 Joback Calculated Property
η 0.0002231 Pa×s 497.27 Joback Calculated Property
η 0.0001680 Pa×s 540.72 Joback Calculated Property

Similar Compounds

Benzoic acid, 4-(1-methylethyl)-. Benzoic acid, 4-ethyl-, methyl ester. Methyl 4-tert-butylbenzoate. Benzaldehyde, 4-(1-methylethyl)-. 4-Ethylbenzoic acid, ethyl ester. Ethanone, 1-[4-(1-methylethyl)phenyl]-. CUMINYL ACETATE. Ethyl 4-t-butylbenzoate. Methanone, [4-(1-methylethyl)phenyl]phenyl-. 4-Ethylbenzoic acid, but-3-yn-2-yl ester. 4-(1-Carboxyethyl)benzoic acid, dimethyl. Benzoic acid, 3-(1-methylethyl)-. 4-Ethylbenzoic acid, 3-methylbut-2-enyl ester. 4-Isobutylbenzoic acid, methyl. 4-Butylbenzoic acid, methyl ester.

Find more compounds similar to Benzoic acid, 4-(1-methylethyl)-, methyl ester.

Sources

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