ChemSpider 2D Image | 1-(1,1-Dioxido-1,4-thiazepan-4-yl)-3-ethyl-1-heptanone | C14H27NO3S

1-(1,1-Dioxido-1,4-thiazepan-4-yl)-3-ethyl-1-heptanone

  • Molecular FormulaC14H27NO3S
  • Average mass289.434 Da
  • Monoisotopic mass289.171173 Da
  • ChemSpider ID30476383

More details:

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

1-(1,1-Dioxido-1,4-thiazepan-4-yl)-3-ethyl-1-heptanon [German] [ACD/IUPAC Name]
1-(1,1-Dioxido-1,4-thiazepan-4-yl)-3-ethyl-1-heptanone [ACD/IUPAC Name]
1-(1,1-Dioxydo-1,4-thiazépan-4-yl)-3-éthyl-1-heptanone [French] [ACD/IUPAC Name]
1-Heptanone, 3-ethyl-1-(tetrahydro-1,1-dioxido-1,4-thiazepin-4(5H)-yl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 483.0±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 245.9±26.8 °C
Index of Refraction: 1.489
Molar Refractivity: 77.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.94
ACD/KOC (pH 5.5): 424.66
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.94
ACD/KOC (pH 7.4): 424.66
Polar Surface Area: 63 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 269.0±3.0 cm3

Click to predict properties on the Chemicalize site


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