ChemSpider 2D Image | 1-(1,4-Dithian-2-yl)-N,3-diethyl-1-heptanamine | C15H31NS2

1-(1,4-Dithian-2-yl)-N,3-diethyl-1-heptanamine

  • Molecular FormulaC15H31NS2
  • Average mass289.543 Da
  • Monoisotopic mass289.189789 Da
  • ChemSpider ID35528814

More details:

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

1-(1,4-Dithian-2-yl)-N,3-diethyl-1-heptanamin [German] [ACD/IUPAC Name]
1-(1,4-Dithian-2-yl)-N,3-diethyl-1-heptanamine [ACD/IUPAC Name]
1-(1,4-Dithian-2-yl)-N,3-diéthyl-1-heptanamine [French] [ACD/IUPAC Name]
1,4-Dithiane-2-methanamine, N-ethyl-α-(2-ethylhexyl)- [ACD/Index 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: 388.2±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 188.6±20.9 °C
Index of Refraction: 1.509
Molar Refractivity: 89.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 2.31
ACD/KOC (pH 5.5): 8.65
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 25.03
ACD/KOC (pH 7.4): 93.88
Polar Surface Area: 63 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 298.8±3.0 cm3

Click to predict properties on the Chemicalize site


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