ChemSpider 2D Image | Diisopropyl [2-(sulfanylmethyl)phenyl]phosphonate | C13H21O3PS

Diisopropyl [2-(sulfanylmethyl)phenyl]phosphonate

  • Molecular FormulaC13H21O3PS
  • Average mass288.343 Da
  • Monoisotopic mass288.094910 Da
  • ChemSpider ID25038034

More details:

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

[2-(Sulfanylméthyl)phényl]phosphonate de diisopropyle [French] [ACD/IUPAC Name]
Bis(1-Methylethyl) [2-(Sulfanylmethyl)phenyl]phosphonate
Diisopropyl [2-(sulfanylmethyl)phenyl]phosphonate [ACD/IUPAC Name]
Diisopropyl-[2-(sulfanylmethyl)phenyl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[2-(mercaptomethyl)phenyl]-, bis(1-methylethyl) ester [ACD/Index Name]
IFS

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

Density: 1.1±0.1 g/cm3
Boiling Point: 382.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.7±3.0 kJ/mol
Flash Point: 185.3±23.2 °C
Index of Refraction: 1.509
Molar Refractivity: 77.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.23
ACD/KOC (pH 5.5): 907.79
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.11
ACD/KOC (pH 7.4): 897.18
Polar Surface Area: 84 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 38.4±5.0 dyne/cm
Molar Volume: 258.5±5.0 cm3

Click to predict properties on the Chemicalize site


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