Chemical Properties of Phenol, 2-(1,1-dimethylethyl)- (CAS 88-18-6)

Phenol, 2-(1,1-dimethylethyl)-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3
InChI Key
WJQOZHYUIDYNHM-UHFFFAOYSA-N
Formula
C10H14O
SMILES
CC(C)(C)c1ccccc1O
Molecular Weight1
150.22
CAS
88-18-6
Other Names
  • 2-(1,1-Dimethylethyl)-phenol
  • 2-t-Butylphenol
  • 2-tert-Butylphenol
  • Phenol, 2-tert-butyl-
  • Phenol, o-tert-butyl-
  • o-tert-Butylphenol
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5660.10 kJ/mol NIST
Δf -6.05 kJ/mol Joback Calculated Property
Δfgas -199.10 kJ/mol NIST
Δfliquid -280.00 kJ/mol NIST
Δfus 14.07 kJ/mol Joback Calculated Property
Δvap 63.20 ± 0.20 kJ/mol NIST
Δvap 77.03 kJ/mol NIST
Δvap 80.90 kJ/mol NIST
IE 8.10 ± 0.02 eV NIST
IE 8.40 eV NIST
logPoct/wat 2.69 Crippen Calculated Property
Pc 3547.31 kPa Joback Calculated Property
Tboil 497.20 K NIST
Tboil 497.06 ± 0.01 K NIST
Tc 765.16 K Joback Calculated Property
Tfus 267.53 ± 0.05 K NIST
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 314.96 J/mol×K 532.27 Joback Calculated Property
η 0.00 Pa×s 532.27 Joback Calculated Property
ΔvapH [47.00; 74.10] kJ/mol [309.00; 438.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 62.60 ± 0.20 kJ/mol 309.0 NIST
ΔvapH 55.60 kJ/mol 418.5 NIST
ΔvapH 53.90 kJ/mol 418.5 NIST
ΔvapH 51.00 kJ/mol 418.5 NIST
ΔvapH 47.00 kJ/mol 418.5 NIST
ΔvapH 54.90 kJ/mol 425.5 NIST
ΔvapH 52.90 kJ/mol 437.0 NIST
ΔvapH 74.10 kJ/mol 438.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-CH3 3
>C< 1
-OH (phenol) 1
=CH- (ring) 4

Similar Compounds

Phenol, 2-(1-methylethyl)-. 2-t-Butyl-5-methylphenol. t-Butylhydroquinone. Phenol, 2-(1,1-dimethylethyl)-6-methyl-. Phenol, 2-(1,1-dimethylethyl)-4-methyl-. 2-Isopropyl-6-tert-butylphenol. Phenol, 2,6-bis(1,1-dimethylethyl)-. Phenol, 2,5-bis(1,1-dimethylethyl)-. o-(tert-Butyl)anisole. Phenol, 2-(1,1-dimethylpropyl)-. Phenol, 2,4-bis(1,1-dimethylethyl)-. Phenol, 5-methyl-2-(1-methylethyl)-. 6-Tert-butyl-2,4-xylenol. 1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-. Butylated hydroxytoluene.

Find more compounds similar to Phenol, 2-(1,1-dimethylethyl)-.

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