Chemical Properties of Benzoic acid, p-tert-butyl- (CAS 98-73-7)

Benzoic acid, p-tert-butyl-

PDF Excel Molecule Calculator
InChI
InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChI Key
KDVYCTOWXSLNNI-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
CC(C)(C)c1ccc(C(=O)O)cc1
Molecular Weight1
178.23
CAS
98-73-7
Other Names
  • 4-(1,1-Dimethylethyl)benzoic acid
  • 4-t-Butylbenzoic acid
  • 4-tert-Butylbenzoic acid
  • Benzoic acid, 4-(1,1-dimethylethyl)-
  • Kyselina p-terc.butylbenzoova
  • NSC 4802
  • TBBA
  • benzoic acid, 4-(1,1,-dimethylethyl)-
  • benzoic aid, p-tert-butyl-
  • p-t-Butylbenzoic acid
  • p-tert-Butylbenzoic acid
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δcsolid -5826.57 ± 0.90 kJ/mol NIST
Δf -118.38 kJ/mol Joback Calculated Property
Δfgas -398.50 ± 2.00 kJ/mol NIST
Δfsolid -502.90 ± 1.70 kJ/mol NIST
Δfus 16.17 kJ/mol Joback Calculated Property
Δsub 104.40 kJ/mol NIST
Δvap 65.15 kJ/mol Joback Calculated Property
IE [8.94; 8.94] eV Show Hide
IE 8.94 eV NIST
IE 8.94 ± 0.02 eV NIST
log10WS -2.85 Crippen Calculated Property
logPoct/wat 2.682 Crippen Calculated Property
McVol 149.530 ml/mol McGowan Calculated Property
Pc 3142.03 kPa Joback Calculated Property
Inp [1472.00; 1486.00]   Show Hide
Inp 1486.00 NIST
Inp 1472.00 NIST
Tboil 625.56 K Joback Calculated Property
Tc 834.96 K Joback Calculated Property
Tfus [436.70; 439.06] K Show Hide
Tfus 439.06 K Measure...
Tfus 436.70 ± 0.00 K NIST
Tfus 438.50 ± 1.00 K NIST
Tfus 438.45 ± 0.50 K NIST
Vc 0.557 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [378.05; 440.50] J/mol×K [625.56; 834.96] Show Hide
Cp,gas 378.05 J/mol×K 625.56 Joback Calculated Property
Cp,gas 390.37 J/mol×K 660.46 Joback Calculated Property
Cp,gas 401.85 J/mol×K 695.36 Joback Calculated Property
Cp,gas 412.56 J/mol×K 730.26 Joback Calculated Property
Cp,gas 422.54 J/mol×K 765.16 Joback Calculated Property
Cp,gas 431.83 J/mol×K 800.06 Joback Calculated Property
Cp,gas 440.50 J/mol×K 834.96 Joback Calculated Property
η [0.0000671; 0.0037049] Pa×s [365.84; 625.56] Show Hide
η 0.0037049 Pa×s 365.84 Joback Calculated Property
η 0.0013330 Pa×s 409.13 Joback Calculated Property
η 0.0005832 Pa×s 452.41 Joback Calculated Property
η 0.0002948 Pa×s 495.70 Joback Calculated Property
η 0.0001663 Pa×s 538.99 Joback Calculated Property
η 0.0001021 Pa×s 582.27 Joback Calculated Property
η 0.0000671 Pa×s 625.56 Joback Calculated Property
ΔfusH [17.91; 17.91] kJ/mol [440.00; 440.00] Show Hide
ΔfusH 17.91 kJ/mol 440.00 NIST
ΔfusH 17.91 kJ/mol 440.00 NIST
ΔsubH [103.80; 104.40] kJ/mol [334.00; 334.10] Show Hide
ΔsubH 103.80 ± 0.40 kJ/mol 334.00 NIST
ΔsubH 104.40 ± 1.00 kJ/mol 334.10 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [411.80; 621.71] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.30427e+01
Coefficient B-4.12031e+03
Coefficient C-8.87680e+01
Temperature range, min.411.80
Temperature range, max.621.71
Pvap 1.33 kPa 411.80 Calculated Property
Pvap 3.15 kPa 435.12 Calculated Property
Pvap 6.67 kPa 458.45 Calculated Property
Pvap 12.92 kPa 481.77 Calculated Property
Pvap 23.24 kPa 505.09 Calculated Property
Pvap 39.29 kPa 528.42 Calculated Property
Pvap 62.99 kPa 551.74 Calculated Property
Pvap 96.53 kPa 575.06 Calculated Property
Pvap 142.26 kPa 598.39 Calculated Property
Pvap 202.64 kPa 621.71 Calculated Property

Similar Compounds

Methyl 4-tert-butylbenzoate. Benzoic acid, 4-(1-methylethyl)-. Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-. 4-Acetylbenzoic acid. Ethyl 4-t-butylbenzoate. 4-tert-butylbenzaldehyde. Benzenemethanol, 4-(1,1-dimethylethyl)-. Benzoyl chloride, 4-(1,1-dimethylethyl)-. Ethanone, 1-[4-(1-hydroxy-1-methylethyl)phenyl]-. Benzene, 1,4-bis(1,1-dimethylethyl)-. 4-(2-hydroxy-2-propyl)benzaldehyde. «alpha»,«alpha»,«alpha»',«alpha»'-Tetramethyl-1,4-benzenedimethanol. 3,5-Di-tert-butylbenzoic acid. 2-Methoxyethyl 4-tert-butyl benzoate. Benzoic acid, 4-tert-butyl-, propyl ester.

Find more compounds similar to Benzoic acid, p-tert-butyl-.

Mixtures

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.