ChemSpider 2D Image | 2-Isopropyl-1,3-oxathiepane | C8H16OS

2-Isopropyl-1,3-oxathiepane

  • Molecular FormulaC8H16OS
  • Average mass160.277 Da
  • Monoisotopic mass160.092178 Da
  • ChemSpider ID22499189

More details:

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

1,3-Oxathiepane, 2-(1-methylethyl)- [ACD/Index Name]
2-Isopropyl-[1,3]oxathiepane
2-Isopropyl-1,3-oxathiepan [German] [ACD/IUPAC Name]
2-Isopropyl-1,3-oxathiepane [ACD/IUPAC Name]
2-Isopropyl-1,3-oxathiépane [French] [ACD/IUPAC Name]
90467-75-7 [RN]
"2-ISOPROPYL-1,3-OXATHIEPANE"
1,3-Oxathiepane, 2-(1-methylethyl)- (9CI)
2-(dihydroxymethyl)-2,5-dihydrofuran-2,5-diol
2-(Propan-2-yl)-1,3-oxathiepane
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 229.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.8±3.0 kJ/mol
Flash Point: 92.9±25.4 °C
Index of Refraction: 1.472
Molar Refractivity: 46.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.86
ACD/KOC (pH 5.5): 366.97
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.86
ACD/KOC (pH 7.4): 366.97
Polar Surface Area: 35 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 29.7±3.0 dyne/cm
Molar Volume: 166.8±3.0 cm3

Click to predict properties on the Chemicalize site


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