ChemSpider 2D Image | 3-(Fluoromethyl)-5-methoxy-5-oxopentanoic acid | C7H11FO4

3-(Fluoromethyl)-5-methoxy-5-oxopentanoic acid

  • Molecular FormulaC7H11FO4
  • Average mass178.158 Da
  • Monoisotopic mass178.064133 Da
  • ChemSpider ID65738372

More details:






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

3-(Fluormethyl)-5-methoxy-5-oxopentansäure [German] [ACD/IUPAC Name]
3-(Fluoromethyl)-5-methoxy-5-oxopentanoic acid [ACD/IUPAC Name]
Acide 3-(fluorométhyl)-5-méthoxy-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-(fluoromethyl)-, monomethyl ester [ACD/Index Name]
1824195-78-9 [RN]
MFCD24515088

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

Density: 1.2±0.1 g/cm3
Boiling Point: 292.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 58.5±6.0 kJ/mol
Flash Point: 130.4±23.2 °C
Index of Refraction: 1.426
Molar Refractivity: 37.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.48
ACD/LogD (pH 7.4): -2.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 148.0±3.0 cm3

Click to predict properties on the Chemicalize site






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