ChemSpider 2D Image | 2',4',5'-TRIMETHYLACETOPHENONE | C11H14O

2',4',5'-TRIMETHYLACETOPHENONE

  • Molecular FormulaC11H14O
  • Average mass162.228 Da
  • Monoisotopic mass162.104462 Da
  • ChemSpider ID21159574

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(2,4,5-Trimethylphenyl)ethanon [German] [ACD/IUPAC Name]
1-(2,4,5-Trimethylphenyl)ethanone [ACD/IUPAC Name]
1-(2,4,5-Triméthylphényl)éthanone [French] [ACD/IUPAC Name]
2',4',5'-TRIMETHYLACETOPHENONE
2040-07-5 [RN]
Ethanone, 1-(2,4,5-trimethylphenyl)- [ACD/Index Name]
(2',4',5'-Trimethyl)acetophenone
[2040-07-5]
05.07.2040
1-(2,4,5-trimethylphenyl)ethan-1-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD00017244 [DBID]
120855_ALDRICH [DBID]
CCRIS 4693 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 246.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.4±3.0 kJ/mol
Flash Point: 104.8±13.7 °C
Index of Refraction: 1.510
Molar Refractivity: 50.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 221.84
ACD/KOC (pH 5.5): 1663.03
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 221.84
ACD/KOC (pH 7.4): 1663.03
Polar Surface Area: 17 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 169.8±3.0 cm3

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