ChemSpider 2D Image | 1,4-Dioxepan-6-yl(fluoro)acetic acid | C7H11FO4

1,4-Dioxepan-6-yl(fluoro)acetic acid

  • Molecular FormulaC7H11FO4
  • Average mass178.158 Da
  • Monoisotopic mass178.064133 Da
  • ChemSpider ID60943933

More details:






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

1,4-Dioxepan-6-yl(fluor)essigsäure [German] [ACD/IUPAC Name]
1,4-Dioxepan-6-yl(fluoro)acetic acid [ACD/IUPAC Name]
1,4-Dioxepane-6-acetic acid, α-fluoro- [ACD/Index Name]
Acide 1,4-dioxépan-6-yl(fluoro)acétique [French] [ACD/IUPAC Name]
1866149-54-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 346.0±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.8±6.0 kJ/mol
Flash Point: 163.1±25.1 °C
Index of Refraction: 1.438
Molar Refractivity: 37.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.19
ACD/LogD (pH 5.5): -3.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 56 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 142.0±3.0 cm3

Click to predict properties on the Chemicalize site






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