Chemical Properties of Phenol, 2,4-bis(1,1-dimethylethyl)- (CAS 96-76-4)

Phenol, 2,4-bis(1,1-dimethylethyl)-

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InChI
InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
InChI Key
ICKWICRCANNIBI-UHFFFAOYSA-N
Formula
C14H22O
SMILES
CC(C)(C)c1ccc(O)c(C(C)(C)C)c1
Molecular Weight1
206.32
CAS
96-76-4
Other Names
  • 1-Hydroxy-2,4-di-tert-butylbenzene
  • 2,4-Bis(1,1-dimethylethyl)phenol
  • 2,4-Bis(tert-butyl)phenol
  • 2,4-bis(1,1'-dimethylethyl)phenol
  • 2,4-di-t-Butylphenol
  • 2,4-tert-butylphenol
  • Antioxidant No. 33
  • NSC 174502
  • Phenol, 2,4-bis(1,1-dimethylethyl)-
  • Phenol, 2,4-di-tert-butyl-
  • Prodox 146
  • Prodox 146A-85X
Sources

Physical Properties

Property Value Unit Source
Δcsolid -8255.00 kJ/mol NIST
Δf 20.84 kJ/mol Joback Calculated Property
Δfgas -290.00 kJ/mol NIST
Δfsolid -400.00 kJ/mol NIST
Δfus 16.62 kJ/mol Joback Calculated Property
Δsub [86.70; 110.00] kJ/mol Show Hide
Δsub 92.90 ± 2.80 kJ/mol NIST
Δsub 86.70 ± 0.30 kJ/mol NIST
Δsub 107.10 kJ/mol NIST
Δsub 110.00 kJ/mol NIST
Δvap 72.40 ± 0.50 kJ/mol NIST
logPoct/wat 3.99 Crippen Calculated Property
Pc 2358.78 kPa Joback Calculated Property
Tboil 538.20 K NIST
Tboil 536.70 K NIST
Tboil 419.20 K NIST
Tc 855.78 K Joback Calculated Property
Tfus 403.04 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 511.15 J/mol×K 625.54 Joback Calculated Property
η 0.00 Pa×s 625.54 Joback Calculated Property
ΔsubH 86.10 ± 0.30 kJ/mol 307.5 NIST
ΔvapH 69.20 ± 0.50 kJ/mol 350.5 NIST
ΔvapH 60.10 kJ/mol 470.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-CH3 6
>C< 2
-OH (phenol) 1
=CH- (ring) 3

Similar Compounds

Phenol, 2-(1,1-dimethylethyl)-4-methyl-. 2,4-Di-t-butyl-6-methylphenol. Phenol, 2,4,6-tris(1,1-dimethylethyl)-. Phenol, 2,4-bis(1-methylethyl)-. Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-. Butylated hydroxytoluene. 6-Tert-butyl-2,4-xylenol. Phenol, 4-methyl-2-(1-methylethyl)-. Phenol, 2,4,6-tris(1-methylethyl)-. Phenol, 2,6-bis(1,1-dimethylethyl)-. 2-Isopropyl-6-tert-butylphenol. Phenol, 4-(1,1-dimethylethyl)-2-methyl-. Phenol, 2-(1,1-dimethylethyl)-6-methyl-. 4-tert-butyl-2-sec-butylphenol. Phenol, 2,4-bis(1,1-dimethylpropyl)-.

Find more compounds similar to Phenol, 2,4-bis(1,1-dimethylethyl)-.

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