Chemical Properties of 2,4,6-Triisopropylbenzoyl chloride (CAS 57199-00-5)

2,4,6-Triisopropylbenzoyl chloride

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InChI
InChI=1S/C16H23ClO/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3
InChI Key
OSKNTKJPGKHDHV-UHFFFAOYSA-N
Formula
C16H23ClO
SMILES
CC(C)c1cc(C(C)C)c(C(=O)Cl)c(C(C)C)c1
Molecular Weight1
266.81
CAS
57199-00-5
Other Names
  • Benzoyl chloride, 2,4,6-tris(1-methylethyl)-
Sources

Physical Properties

Property Value Unit Source
Δf 19.19 kJ/mol Joback Calculated Property
Δfgas -315.61 kJ/mol Joback Calculated Property
Δfus 25.30 kJ/mol Joback Calculated Property
Δvap 65.44 kJ/mol Joback Calculated Property
logPoct/wat 5.44 Crippen Calculated Property
Pc 1710.36 kPa Joback Calculated Property
Tboil 697.08 K Joback Calculated Property
Tc 910.67 K Joback Calculated Property
Tfus 368.91 K Joback Calculated Property
Vc 0.86 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 602.18 J/mol×K 697.08 Joback Calculated Property
η 0.00 Pa×s 697.08 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

1-Methyl-4-(1-methylethyl)-2,3-bis(chloromethyl)benzene. 1,3,5-Trimethyl-2-(1-methylethyl)-4-(chloromethyl)benzene. 1,3,5-Trimethyl-2-(1-methylethyl)-4,6-bis(chloromethyl)-benzene. 2,4,6-Tri-isopropylacetophenone. 1-Methyl-4-(1-methylethyl)-2,5-bis(chloromethyl)benzene. 2,4,6-Triisopropylbenzoic acid. 2,4,6-Trimethylbenzoyl chloride. 1-Methyl-4-(1-methylethyl)-3-(chloromethyl)benzene. Benzene, 1-chloromethyl-3,5-dimethyl-4-(1-methylethyl). Benzene, 1,3,5-trimethyl-2-(1-chloro-1-methylethyl). 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. 1-Methyl-4-(1-methylethyl)-2,6-bis(chloromethyl)benzene.

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