Chemical Properties of 2,6-Bis(1,1-dimethylethyl)-4-(1-oxopropyl)phenol (CAS 14035-34-8)

2,6-Bis(1,1-dimethylethyl)-4-(1-oxopropyl)phenol

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InChI
InChI=1S/C17H26O2/c1-8-14(18)11-9-12(16(2,3)4)15(19)13(10-11)17(5,6)7/h9-10,19H,8H2,1-7H3
InChI Key
JGJQYHBWTHQSPR-UHFFFAOYSA-N
Formula
C17H26O2
SMILES
CCC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
Molecular Weight1
262.39
CAS
14035-34-8
Other Names
  • 3,5-Bis(tert.-butyl)-4-hydroxy-propiophenon
  • 3,5-Bis(tert.-butyl)-4-hydroxy-propiophenone
Sources

Physical Properties

Property Value Unit Source
Δf -92.45 kJ/mol Joback Calculated Property
Δfgas -488.01 kJ/mol Joback Calculated Property
Δfus 25.60 kJ/mol Joback Calculated Property
Δvap 74.20 kJ/mol Joback Calculated Property
logPoct/wat 4.58 Crippen Calculated Property
Pc 1892.00 kPa Joback Calculated Property
Tboil 753.03 K Joback Calculated Property
Tc 977.72 K Joback Calculated Property
Tfus 499.30 K Joback Calculated Property
Vc 0.83 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 689.92 J/mol×K 753.03 Joback Calculated Property
η 0.00 Pa×s 753.03 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (nonring) 1
=CH- (ring) 2
=C< (ring) 4
-CH2- 1
>C< 2
-CH3 7
-OH (phenol) 1

Similar Compounds

BENZOIC ALDEHYDE, 3,5-DI-t-BUTYL-4-HYDROXY-. Benzaldehyde, 2-hydroxy, 3,5-di(t-butyl). Phenol, 2,6-bis(1,1-dimethylpropyl)-4-methyl-. Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-. Phenol, 2,4,6-tris(1,1-dimethylethyl)-. 2,4-Di-t-butyl-6-methylphenol. Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-. Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester. Phenol, 2,4-bis(1,1-dimethylpropyl)-. Butylated hydroxytoluene. 4-tert-butyl-2-sec-butylphenol. 4-sec-Butyl-2-tert-butyl-6-hydroxym ethyl-phenol. 6-Tert-butyl-2,4-xylenol. 5-Sec-butyl-2-hydroxybenzaldehyde. Phenol, 2,4,6-tris(1-methylethyl)-.

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