ChemSpider 2D Image | Diethyl [(E)-1-(dimethylamino)-2-(3-methyl-2-thienyl)vinyl]phosphonate | C13H22NO3PS

Diethyl [(E)-1-(dimethylamino)-2-(3-methyl-2-thienyl)vinyl]phosphonate

  • Molecular FormulaC13H22NO3PS
  • Average mass303.357 Da
  • Monoisotopic mass303.105804 Da
  • ChemSpider ID110786582

  • Double-bond stereo - Double-bond stereo

More details:

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

[(E)-1-(Diméthylamino)-2-(3-méthyl-2-thiényl)vinyl]phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [(E)-1-(dimethylamino)-2-(3-methyl-2-thienyl)vinyl]phosphonate [ACD/IUPAC Name]
Diethyl-[(E)-1-(dimethylamino)-2-(3-methyl-2-thienyl)vinyl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[(E)-1-(dimethylamino)-2-(3-methyl-2-thienyl)ethenyl]-, diethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 405.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 198.8±28.7 °C
Index of Refraction: 1.540
Molar Refractivity: 82.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 248.89
ACD/KOC (pH 5.5): 1800.48
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 251.45
ACD/KOC (pH 7.4): 1819.00
Polar Surface Area: 77 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 262.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement