ChemSpider 2D Image | 2-Hydroxybutyl 1-pyrrolidinecarbodithioate | C9H17NOS2

2-Hydroxybutyl 1-pyrrolidinecarbodithioate

  • Molecular FormulaC9H17NOS2
  • Average mass219.367 Da
  • Monoisotopic mass219.075150 Da
  • ChemSpider ID28586976

More details:

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

1-Pyrrolidinecarbodithioate de 2-hydroxybutyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarbodithioic acid, 2-hydroxybutyl ester [ACD/Index Name]
2-Hydroxybutyl 1-pyrrolidinecarbodithioate [ACD/IUPAC Name]
2-Hydroxybutyl-1-pyrrolidincarbodithioat [German] [ACD/IUPAC Name]
2-Hydroxybutyl pyrrolidine-1-carbodithioate
922164-86-1 [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: 333.3±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.8±6.0 kJ/mol
Flash Point: 155.4±28.4 °C
Index of Refraction: 1.602
Molar Refractivity: 61.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.75
ACD/KOC (pH 5.5): 150.78
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.75
ACD/KOC (pH 7.4): 150.78
Polar Surface Area: 81 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 180.3±3.0 cm3

Click to predict properties on the Chemicalize site


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