Chemical Properties of Benzoic acid, 4-(1-methylethyl)- (CAS 536-66-3)

Benzoic acid, 4-(1-methylethyl)-

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InChI
InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)
InChI Key
CKMXAIVXVKGGFM-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
CC(C)c1ccc(C(=O)O)cc1
Molecular Weight1
164.20
CAS
536-66-3
Other Names
  • 4-(1-Methylethyl)benzoic acid
  • 4-Isopropylbenzoic acid
  • Benzoic acid, p-isopropyl-
  • Cumic acid
  • Cuminic acid
  • p-Isopropylbenzoic acid
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Physical Properties

Property Value Unit Source
Δcsolid -5166.30 ± 1.50 kJ/mol NIST
Δf -132.08 kJ/mol Joback Calculated Property
Δfgas -382.70 ± 2.00 kJ/mol NIST
Δfsolid -483.80 ± 2.00 kJ/mol NIST
Δfus 17.47 kJ/mol Joback Calculated Property
Δsub [99.00; 101.10] kJ/mol Show Hide
Δsub 101.10 ± 0.30 kJ/mol NIST
Δsub 101.10 kJ/mol NIST
Δsub 99.00 ± 0.30 kJ/mol NIST
Δvap 63.83 kJ/mol Joback Calculated Property
log10WS -2.72 Crippen Calculated Property
logPoct/wat 2.508 Crippen Calculated Property
McVol 135.440 ml/mol McGowan Calculated Property
Pc 3464.28 kPa Joback Calculated Property
Tboil 605.47 K Joback Calculated Property
Tc 810.65 K Joback Calculated Property
Tfus 390.10 ± 2.00 K NIST
Vc 0.506 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [327.18; 385.64] J/mol×K [605.47; 810.65] Show Hide
Cp,gas 327.18 J/mol×K 605.47 Joback Calculated Property
Cp,gas 338.54 J/mol×K 639.67 Joback Calculated Property
Cp,gas 349.21 J/mol×K 673.86 Joback Calculated Property
Cp,gas 359.23 J/mol×K 708.06 Joback Calculated Property
Cp,gas 368.63 J/mol×K 742.25 Joback Calculated Property
Cp,gas 377.42 J/mol×K 776.45 Joback Calculated Property
Cp,gas 385.64 J/mol×K 810.65 Joback Calculated Property
η [0.0000831; 0.0058609] Pa×s [337.15; 605.47] Show Hide
η 0.0058609 Pa×s 337.15 Joback Calculated Property
η 0.0019034 Pa×s 381.87 Joback Calculated Property
η 0.0007826 Pa×s 426.59 Joback Calculated Property
η 0.0003809 Pa×s 471.31 Joback Calculated Property
η 0.0002100 Pa×s 516.03 Joback Calculated Property
η 0.0001273 Pa×s 560.75 Joback Calculated Property
η 0.0000831 Pa×s 605.47 Joback Calculated Property
ΔsubH 99.00 ± 0.30 kJ/mol 325.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [411.00; 577.45] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.50454e+01
Coefficient B-4.75954e+03
Coefficient C-8.84900e+01
Temperature range, min.411.00
Temperature range, max.577.45
Pvap 1.33 kPa 411.00 Calculated Property
Pvap 2.97 kPa 429.49 Calculated Property
Pvap 6.09 kPa 447.99 Calculated Property
Pvap 11.63 kPa 466.48 Calculated Property
Pvap 20.93 kPa 484.98 Calculated Property
Pvap 35.74 kPa 503.47 Calculated Property
Pvap 58.29 kPa 521.97 Calculated Property
Pvap 91.36 kPa 540.46 Calculated Property
Pvap 138.21 kPa 558.96 Calculated Property
Pvap 202.63 kPa 577.45 Calculated Property

Similar Compounds

Benzoic acid, 4-(1-methylethyl)-, methyl ester. Benzoic acid, 3-(1-methylethyl)-. Benzaldehyde, 4-(1-methylethyl)-. p-Cymen-7-ol. 4-Ethylbenzoic acid. Ethanone, 1-[4-(1-methylethyl)phenyl]-. Benzyl alcohol, «alpha»,«alpha»-dimethyl-p-isopropyl-. Benzoic acid, p-tert-butyl-. 4'-(2-Bromoethyl)benzoic acid. Benzene, 1,4-bis(1-methylethyl)-. 4-n-Propylbenzoic acid. 1-Tert-butyl-4-isopropylbenzene. Benzene, 1-(1-methylethyl)-4-(1,1-dimethylethyl). Methanone, [4-(1-methylethyl)phenyl]phenyl-. 4-(2-hydroxy-2-propyl)benzaldehyde.

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

Sources

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