ChemSpider 2D Image | 3-Ethyl-1-(3-ethyl-1,4-dithian-2-yl)-1-heptanamine | C15H31NS2

3-Ethyl-1-(3-ethyl-1,4-dithian-2-yl)-1-heptanamine

  • Molecular FormulaC15H31NS2
  • Average mass289.543 Da
  • Monoisotopic mass289.189789 Da
  • ChemSpider ID41180126

More details:

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

1,4-Dithiane-2-methanamine, 3-ethyl-α-(2-ethylhexyl)- [ACD/Index Name]
3-Ethyl-1-(3-ethyl-1,4-dithian-2-yl)-1-heptanamin [German] [ACD/IUPAC Name]
3-Ethyl-1-(3-ethyl-1,4-dithian-2-yl)-1-heptanamine [ACD/IUPAC Name]
3-Éthyl-1-(3-éthyl-1,4-dithian-2-yl)-1-heptanamine [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 396.0±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.6±3.0 kJ/mol
Flash Point: 193.3±20.9 °C
Index of Refraction: 1.510
Molar Refractivity: 89.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 6.53
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 9.19
ACD/KOC (pH 7.4): 37.45
Polar Surface Area: 77 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 298.2±3.0 cm3

Click to predict properties on the Chemicalize site


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