ChemSpider 2D Image | 3-(1,4-Dithiepan-6-ylamino)-5-methylhexanoic acid | C12H23NO2S2

3-(1,4-Dithiepan-6-ylamino)-5-methylhexanoic acid

  • Molecular FormulaC12H23NO2S2
  • Average mass277.447 Da
  • Monoisotopic mass277.117004 Da
  • ChemSpider ID58202490

More details:

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

3-(1,4-Dithiepan-6-ylamino)-5-methylhexanoic acid [ACD/IUPAC Name]
3-(1,4-Dithiepan-6-ylamino)-5-methylhexansäure [German] [ACD/IUPAC Name]
Acide 3-(1,4-dithiépan-6-ylamino)-5-méthylhexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 3-(1,4-dithiepan-6-ylamino)-5-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 452.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.0±6.0 kJ/mol
Flash Point: 227.4±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 76.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.12
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.03
Polar Surface Area: 100 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 240.3±5.0 cm3

Click to predict properties on the Chemicalize site


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