Chemical Properties of Phenol, 2,4,6-tris(1,1-dimethylethyl)- (CAS 732-26-3)

Phenol, 2,4,6-tris(1,1-dimethylethyl)-

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

InChI
InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3
InChI Key
PFEFOYRSMXVNEL-UHFFFAOYSA-N
Formula
C18H30O
SMILES
CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
Molecular Weight1
262.43
CAS
732-26-3
Other Names
  • 2,4,6-Tri-t-butylphenol
  • 2,4,6-Tri-tert-butyl-1-hydroxybenzene
  • 2,4,6-Tri-tert-butylhydroxybenzene
  • 2,4,6-Tri-tert-butylphenol
  • 2,4,6-Tris(1,1-dimethylethyl)phenol
  • 2,4,6-Tris(tert-butyl)phenol
  • Alkofen B
  • NSC 14459
  • P 23
  • Phenol, 2,4,6-tris(1,1-dimethylethyl)-
  • TM 02
  • Voidox
Sources

Physical Properties

Property Value Unit Source
Δcsolid -10870.00 kJ/mol NIST
Δf 47.73 kJ/mol Joback Calculated Property
Δfgas -369.80 kJ/mol NIST
Δfsolid -498.00 kJ/mol NIST
Δfus 19.18 kJ/mol Joback Calculated Property
Δsub [84.20; 128.20] kJ/mol Show Hide
Δsub 87.50 ± 0.40 kJ/mol NIST
Δsub 128.10 kJ/mol NIST
Δsub 128.20 kJ/mol NIST
Δsub 85.60 ± 0.42 kJ/mol NIST
Δsub 84.20 ± 0.50 kJ/mol NIST
Δvap 68.39 kJ/mol Joback Calculated Property
IE 7.50 eV NIST
IE 7.82 eV NIST
logPoct/wat 5.28 Crippen Calculated Property
Pc 1681.03 kPa Joback Calculated Property
Tboil 551.20 K NIST
Tc 945.54 K Joback Calculated Property
Tfus 402.80 ± 1.00 K NIST
Tfus 405.70 ± 0.20 K NIST
Tfus 404.00 ± 2.50 K NIST
Vc 0.87 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 727.73 J/mol×K 718.81 Joback Calculated Property
η 0.00 Pa×s 718.81 Joback Calculated Property
ΔfusH 19.46 kJ/mol 405.2 NIST
ΔfusH 19.46 kJ/mol 405.2 NIST
ΔsubH 83.90 kJ/mol 302.5 NIST
ΔsubH 85.60 ± 0.40 kJ/mol 317.0 NIST
ΔvapH 63.20 kJ/mol 483.0 NIST
ΔfusS 21.66 J/mol×K 405.2 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 4
-CH3 9
>C< 3
-OH (phenol) 1
=CH- (ring) 2

Similar Compounds

2,4-Di-t-butyl-6-methylphenol. Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-. Butylated hydroxytoluene. 6-Tert-butyl-2,4-xylenol. Phenol, 2,4,6-tris(1-methylethyl)-. Phenol, 2,4-bis(1,1-dimethylethyl)-. 2-Isopropyl-6-tert-butylphenol. Phenol, 2,6-bis(1,1-dimethylethyl)-. Phenol, 2-(1,1-dimethylethyl)-4-methyl-. Phenol, 2,4-bis(1-methylethyl)-. Phenol, 2-(1,1-dimethylethyl)-6-methyl-. 3,5-di-tert-Butyl-4-hydroxybenzyl alcohol. BENZOIC ALDEHYDE, 3,5-DI-t-BUTYL-4-HYDROXY-. Benzonitrile, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-. Phenol, 2,6-bis(1-methylethyl)-.

Find more compounds similar to Phenol, 2,4,6-tris(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.