ChemSpider 2D Image | 2-Nitrobutyl dihydrogen phosphate | C4H10NO6P

2-Nitrobutyl dihydrogen phosphate

  • Molecular FormulaC4H10NO6P
  • Average mass199.099 Da
  • Monoisotopic mass199.024567 Da
  • ChemSpider ID52083482

More details:

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

1-Butanol, 2-nitro-, dihydrogen phosphate (ester) [ACD/Index Name]
2-Nitrobutyl dihydrogen phosphate [ACD/IUPAC Name]
2-Nitrobutyldihydrogenphosphat [German] [ACD/IUPAC Name]
57249-19-1 [RN]
Dihydrogénophosphate de 2-nitrobutyle [French] [ACD/IUPAC Name]
2-Nitro-1-butyl phosphate

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

RL97HLZ676 [DBID]
UNII:RL97HLZ676 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 387.5±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.9±6.0 kJ/mol
Flash Point: 188.2±28.4 °C
Index of Refraction: 1.486
Molar Refractivity: 38.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -4.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 133.2±3.0 cm3

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