ChemSpider 2D Image | 2-{[(1-Ethoxy-2-propanyl)oxy]methyl}-1-pentanethiol | C11H24O2S

2-{[(1-Ethoxy-2-propanyl)oxy]methyl}-1-pentanethiol

  • Molecular FormulaC11H24O2S
  • Average mass220.372 Da
  • Monoisotopic mass220.149704 Da
  • ChemSpider ID52715821

More details:






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

1-Pentanethiol, 2-[(2-ethoxy-1-methylethoxy)methyl]- [ACD/Index Name]
2-{[(1-Ethoxy-2-propanyl)oxy]methyl}-1-pentanethiol [ACD/IUPAC Name]
2-{[(1-Éthoxy-2-propanyl)oxy]méthyl}-1-pentanethiol [French] [ACD/IUPAC Name]
2-{[(1-Ethoxy-2-propanyl)oxy]methyl}-1-pentanthiol [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 280.2±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 49.8±3.0 kJ/mol
Flash Point: 123.3±21.8 °C
Index of Refraction: 1.454
Molar Refractivity: 64.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 125.77
ACD/KOC (pH 5.5): 1107.87
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 125.51
ACD/KOC (pH 7.4): 1105.61
Polar Surface Area: 57 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 29.9±3.0 dyne/cm
Molar Volume: 237.6±3.0 cm3

Click to predict properties on the Chemicalize site






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