ChemSpider 2D Image | 2-[(2-Methyl-1,3-dithian-2-yl)methyl]-1,3-propanediol | C9H18O2S2

2-[(2-Methyl-1,3-dithian-2-yl)methyl]-1,3-propanediol

  • Molecular FormulaC9H18O2S2
  • Average mass222.368 Da
  • Monoisotopic mass222.074814 Da
  • ChemSpider ID24212913

More details:

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

1,3-Propanediol, 2-[(2-methyl-1,3-dithian-2-yl)methyl]- [ACD/Index Name]
2-[(2-Methyl-1,3-dithian-2-yl)methyl]-1,3-propandiol [German] [ACD/IUPAC Name]
2-[(2-Methyl-1,3-dithian-2-yl)methyl]-1,3-propanediol [ACD/IUPAC Name]
2-[(2-Méthyl-1,3-dithian-2-yl)méthyl]-1,3-propanediol [French] [ACD/IUPAC Name]
1,3-Propanediol, 2-[(2-methyl-1,3-dithian-2-yl)methyl]- (9CI)
1,3-PROPANEDIOL,2-[(2-METHYL-1,3-DITHIAN-2-YL)METHYL]-
2-((2-methyl-1,3-dithian-2-yl)methyl)propane-1,3-diol
798550-49-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 398.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.1±6.0 kJ/mol
Flash Point: 193.7±22.4 °C
Index of Refraction: 1.556
Molar Refractivity: 61.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.77
ACD/KOC (pH 5.5): 136.80
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.77
ACD/KOC (pH 7.4): 136.80
Polar Surface Area: 91 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 189.8±3.0 cm3

Click to predict properties on the Chemicalize site


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