ChemSpider 2D Image | 4-Acetoxy-2,3,5-trimethyl-6-(3-oxobutyl)phenyl 4-nitrobenzoate | C22H23NO7

4-Acetoxy-2,3,5-trimethyl-6-(3-oxobutyl)phenyl 4-nitrobenzoate

  • Molecular FormulaC22H23NO7
  • Average mass413.421 Da
  • Monoisotopic mass413.147461 Da
  • ChemSpider ID21136017

More details:

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

2-Butanone, 4-[3-(acetyloxy)-2,4,5-trimethyl-6-[(4-nitrobenzoyl)oxy]phenyl]- [ACD/Index Name]
4-Acetoxy-2,3,5-trimethyl-6-(3-oxobutyl)phenyl 4-nitrobenzoate [ACD/IUPAC Name]
4-Acetoxy-2,3,5-trimethyl-6-(3-oxobutyl)phenyl-4-nitrobenzoat [German] [ACD/IUPAC Name]
4-Nitrobenzoate de 4-acétoxy-2,3,5-triméthyl-6-(3-oxobutyl)phényle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 572.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 218.8±32.1 °C
Index of Refraction: 1.567
Molar Refractivity: 109.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1143.41
ACD/KOC (pH 5.5): 5378.48
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1143.41
ACD/KOC (pH 7.4): 5378.48
Polar Surface Area: 115 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 334.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement