Found 2 results

Search term: AAYYJYDNERMSOZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-2-Fluoropentanoic acid | C5H9FO2

(2S)-2-Fluoropentanoic acid

  • Molecular FormulaC5H9FO2
  • Average mass120.122 Da
  • Monoisotopic mass120.058655 Da
  • ChemSpider ID32993125

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Fluoropentanoic acid [ACD/IUPAC Name]
(2S)-2-Fluorpentansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-fluoropentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 2-fluoro-, (2S)- [ACD/Index Name]
126957-45-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 191.4±10.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.8 mmHg at 25°C
Enthalpy of Vaporization: 47.1±6.0 kJ/mol
Flash Point: 69.6±19.0 °C
Index of Refraction: 1.398
Molar Refractivity: 26.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): -1.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 10.7±0.5 10-24cm3
Surface Tension: 29.4±3.0 dyne/cm
Molar Volume: 111.5±3.0 cm3

Click to predict properties on the Chemicalize site


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