ChemSpider 2D Image | Methyl 3-[(diethoxyphosphorothioyl)oxy]-2-butenoate | C9H17O5PS

Methyl 3-[(diethoxyphosphorothioyl)oxy]-2-butenoate

  • Molecular FormulaC9H17O5PS
  • Average mass268.267 Da
  • Monoisotopic mass268.053436 Da
  • ChemSpider ID57530624

More details:

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

2-Butenoic acid, 3-[(diethoxyphosphinothioyl)oxy]-, methyl ester [ACD/Index Name]
3-[(Diéthoxyphosphorothioyl)oxy]-2-buténoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[(diethoxyphosphorothioyl)oxy]-2-butenoate [ACD/IUPAC Name]
Methyl-3-[(diethoxyphosphorothioyl)oxy]-2-butenoat [German] [ACD/IUPAC Name]
128606-48-4 [RN]
Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 294.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.4±3.0 kJ/mol
Flash Point: 131.7±27.9 °C
Index of Refraction: 1.487
Molar Refractivity: 64.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.52
ACD/KOC (pH 5.5): 343.71
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.52
ACD/KOC (pH 7.4): 343.71
Polar Surface Area: 96 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 225.1±3.0 cm3

Click to predict properties on the Chemicalize site


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