Chemical Properties of 2,4,6-Triisopropylbenzoic acid (CAS 49623-71-4)

2,4,6-Triisopropylbenzoic acid

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InChI
InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)
InChI Key
ULVHAZFBJJXIDO-UHFFFAOYSA-N
Formula
C16H24O2
SMILES
CC(C)c1cc(C(C)C)c(C(=O)O)c(C(C)C)c1
Molecular Weight1
248.36
CAS
49623-71-4
Other Names
  • 2,4,6-tris(1-methylethyl)benzoic acid
  • Benzoic acid, 2,4,6-tris(1-methylethyl)-
Sources

Physical Properties

Property Value Unit Source
Δf -105.70 kJ/mol Joback Calculated Property
Δfgas -452.10 kJ/mol Joback Calculated Property
Δfus 25.19 kJ/mol Joback Calculated Property
Δvap 77.73 kJ/mol Joback Calculated Property
logPoct/wat 4.76 Crippen Calculated Property
Pc 1908.57 kPa Joback Calculated Property
Tboil 751.83 K Joback Calculated Property
Tc 951.40 K Joback Calculated Property
Tfus 399.81 K Joback Calculated Property
Vc 0.83 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 635.37 J/mol×K 751.83 Joback Calculated Property
η 0.00 Pa×s 751.83 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
>C=O (nonring) 1
=CH- (ring) 2
-OH (alcohol) 1
=C< (ring) 4
-CH3 6

Similar Compounds

Benzoic acid, 2-(1-methylethyl)-. 2,4,6-Tri-isopropylacetophenone. 2,4,6-Triisopropylbenzoyl chloride. Benzoic acid, 2,4,6-trimethyl-. Pentamethylbenzoic acid. Benzoic acid, 2,4,6-trimethyl-, methyl ester. 2,3,4,5-Tetramethylbenzoic acid. Ethyl-2,4,6-trimethylbenzoate. Benzoic acid, 2,4-dimethyl-. Benzene, 1,3-dimethyl-2,6-bis-(1-methylethyl). Benzene, 1,3-dimethyl-2,4,6-tris-(1-methylethyl). 1,3,5-Triisopropyl-2-methylbenzene. 4'-Tert-butyl-2',6'-dimethylacetophenone. 2-Acetylbenzoic acid. 1(3H)-isobenzofuranone, 3,3-dimethyl-.

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