ChemSpider 2D Image | 2-(3,4,5-Trimethoxyphenyl)butanoate | C13H17O5

2-(3,4,5-Trimethoxyphenyl)butanoate

  • Molecular FormulaC13H17O5
  • Average mass253.272 Da
  • Monoisotopic mass253.108154 Da
  • ChemSpider ID95693013

  • Charge - Charge

More details:

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

2-(3,4,5-Trimethoxyphenyl)butanoat [German] [ACD/IUPAC Name]
2-(3,4,5-Trimethoxyphenyl)butanoate [ACD/IUPAC Name]
2-(3,4,5-Triméthoxyphényl)butanoate [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-ethyl-3,4,5-trimethoxy-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 378.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 138.7±21.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 16.89
ACD/LogD (pH 7.4): -1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement