ChemSpider 2D Image | (1S)-1-Phenylethyl (2E)-3-[(dimethoxyphosphoryl)oxy]-2-butenoate | C14H19O6P

(1S)-1-Phenylethyl (2E)-3-[(dimethoxyphosphoryl)oxy]-2-butenoate

  • Molecular FormulaC14H19O6P
  • Average mass314.271 Da
  • Monoisotopic mass314.091919 Da
  • ChemSpider ID57643467

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-Phenylethyl (2E)-3-[(dimethoxyphosphoryl)oxy]-2-butenoate [ACD/IUPAC Name]
(1S)-1-Phenylethyl-(2E)-3-[(dimethoxyphosphoryl)oxy]-2-butenoat [German] [ACD/IUPAC Name]
(2E)-3-[(Diméthoxyphosphoryl)oxy]-2-buténoate de (1S)-1-phényléthyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, (1S)-1-phenylethyl ester, (2E)- [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: 365.6±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.2±3.0 kJ/mol
Flash Point: 188.5±46.0 °C
Index of Refraction: 1.502
Molar Refractivity: 77.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.87
ACD/KOC (pH 5.5): 460.30
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.87
ACD/KOC (pH 7.4): 460.30
Polar Surface Area: 81 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 262.2±3.0 cm3

Click to predict properties on the Chemicalize site


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