ChemSpider 2D Image | (2E,3E)-2,3-Bis(hydroxyimino)-1,4-butanediyl diacetate | C8H12N2O6

(2E,3E)-2,3-Bis(hydroxyimino)-1,4-butanediyl diacetate

  • Molecular FormulaC8H12N2O6
  • Average mass232.191 Da
  • Monoisotopic mass232.069534 Da
  • ChemSpider ID21476282
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E,3E)-2,3-Bis(hydroxyimino)-1,4-butandiyl-diacetat [German] [ACD/IUPAC Name]
(2E,3E)-2,3-Bis(hydroxyimino)-1,4-butanediyl diacetate [ACD/IUPAC Name]
2,3-Butanedione, 1,4-bis(acetyloxy)-, dioxime, (2E,3E)- [ACD/Index Name]
Diacétate de (2E,3E)-2,3-bis(hydroxyimino)-1,4-butanediyle [French] [ACD/IUPAC Name]
4-acetyloxy-2,3-di(hydroxyimino)butyl acetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 411.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±6.0 kJ/mol
Flash Point: 202.9±31.5 °C
Index of Refraction: 1.511
Molar Refractivity: 51.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 49.92
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.56
ACD/KOC (pH 7.4): 47.04
Polar Surface Area: 118 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 171.3±7.0 cm3

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