ChemSpider 2D Image | (2S)-2-(4-Methyl-2-nitrophenoxy)butanoic acid | C11H13NO5

(2S)-2-(4-Methyl-2-nitrophenoxy)butanoic acid

  • Molecular FormulaC11H13NO5
  • Average mass239.225 Da
  • Monoisotopic mass239.079376 Da
  • ChemSpider ID98606814

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(4-Methyl-2-nitrophenoxy)butanoic acid [ACD/IUPAC Name]
(2S)-2-(4-Methyl-2-nitrophenoxy)butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-(4-méthyl-2-nitrophénoxy)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-(4-methyl-2-nitrophenoxy)-, (2S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 413.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 203.9±24.6 °C
Index of Refraction: 1.555
Molar Refractivity: 59.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.75
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 186.1±3.0 cm3

Click to predict properties on the Chemicalize site


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