ChemSpider 2D Image | (7R)-7-Butyl-2-oxepanone | C10H18O2

(7R)-7-Butyl-2-oxepanone

  • Molecular FormulaC10H18O2
  • Average mass170.249 Da
  • Monoisotopic mass170.130676 Da
  • ChemSpider ID34985933

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7R)-7-Butyl-2-oxepanon [German] [ACD/IUPAC Name]
(7R)-7-Butyl-2-oxepanone [ACD/IUPAC Name]
(7R)-7-Butyl-2-oxépanone [French] [ACD/IUPAC Name]
2-Oxepanone, 7-butyl-, (7R)- [ACD/Index Name]
(7S)-7-Butyl-2-oxepanone [ACD/IUPAC Name]
(7S)-7-butyloxepan-2-one
226-963-9 [EINECS]
5579-78-2 [RN]
UNII-662W32KL4O
ε-Decalactone

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

Density: 0.9±0.1 g/cm3
Boiling Point: 267.8±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.6±3.0 kJ/mol
Flash Point: 106.3±15.9 °C
Index of Refraction: 1.439
Molar Refractivity: 48.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 36.20
ACD/KOC (pH 5.5): 454.31
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 36.20
ACD/KOC (pH 7.4): 454.31
Polar Surface Area: 26 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 29.4±3.0 dyne/cm
Molar Volume: 182.3±3.0 cm3

Click to predict properties on the Chemicalize site


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