ChemSpider 2D Image | DoPAT | C16H30O2S3

DoPAT

  • Molecular FormulaC16H30O2S3
  • Average mass350.603 Da
  • Monoisotopic mass350.140778 Da
  • ChemSpider ID29324228

More details:

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

2-(Dodecylthiocarbonothioylthio)propanoic acid
2-(Dodecylthiocarbonothioylthio)propionic acid
2-{[(Dodecylsulfanyl)carbonothioyl]sulfanyl}propanoic acid [ACD/IUPAC Name]
2-{[(Dodecylsulfanyl)carbonothioyl]sulfanyl}propansäure [German] [ACD/IUPAC Name]
558484-21-2 [RN]
Acide 2-{[(dodécylsulfanyl)carbonothioyl]sulfanyl}propanoïque [French] [ACD/IUPAC Name]
DoPAT
MFCD22200510
Propanoic acid, 2-[[(dodecylthio)thioxomethyl]thio]- [ACD/Index Name]
2-(((Dodecylthio)carbonothioyl)thio)propanoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 499.5±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.1±6.0 kJ/mol
Flash Point: 255.9±22.9 °C
Index of Refraction: 1.543
Molar Refractivity: 101.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 519.39
ACD/KOC (pH 5.5): 578.72
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 38.43
ACD/KOC (pH 7.4): 42.82
Polar Surface Area: 120 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 320.6±3.0 cm3

Click to predict properties on the Chemicalize site


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