Chemical Properties of 6-Tert-butyl-2,4-xylenol (CAS 1879-09-0)

6-Tert-butyl-2,4-xylenol

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InChI
InChI=1S/C12H18O/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7,13H,1-5H3
InChI Key
OPLCSTZDXXUYDU-UHFFFAOYSA-N
Formula
C12H18O
SMILES
Cc1cc(C)c(O)c(C(C)(C)C)c1
Molecular Weight1
178.27
CAS
1879-09-0
Other Names
  • 2,4-Dimethyl-6-tert-butylphenol
  • 2,4-Xylenol, 6-tert-butyl-
  • 2-Methyl-6-tert-butyl-p-cresol
  • 2-tert-Butyl-4,6-dimethylphenol
  • 6-t-Butyl-2,4-dimethylphenol
  • 6-t-Butyl-2,4-xylenol
  • 6-tert-Butyl-2,4-xylenol
  • NSC 8130
  • Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl-
  • Prodox 340
  • Topanol A
Sources

Physical Properties

Property Value Unit Source
Δf -8.47 kJ/mol Joback Calculated Property
Δfgas -263.48 kJ/mol Joback Calculated Property
Δfus 18.47 kJ/mol Joback Calculated Property
Δvap 68.40 ± 0.80 kJ/mol NIST
logPoct/wat 3.31 Crippen Calculated Property
Pc 2767.17 kPa Joback Calculated Property
Tboil 587.99 K Joback Calculated Property
Tc 814.25 K Joback Calculated Property
Tfus 390.60 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 407.95 J/mol×K 587.99 Joback Calculated Property
η 0.00 Pa×s 587.99 Joback Calculated Property
ΔvapH [45.40; 67.20] kJ/mol [318.50; 455.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 67.20 ± 0.80 kJ/mol 318.5 NIST
ΔvapH 54.40 kJ/mol 439.5 NIST
ΔvapH 52.70 kJ/mol 439.5 NIST
ΔvapH 51.70 kJ/mol 439.5 NIST
ΔvapH 49.70 kJ/mol 439.5 NIST
ΔvapH 45.40 kJ/mol 439.5 NIST
ΔvapH 58.40 kJ/mol 455.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 4
-CH3 5
>C< 1
-OH (phenol) 1
=CH- (ring) 2

Similar Compounds

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

Find more compounds similar to 6-Tert-butyl-2,4-xylenol.

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