ChemSpider 2D Image | (1E)-1-(Cyclopentyloxy)-4,4,4-trinitro-1-buten-1-ol | C9H13N3O8

(1E)-1-(Cyclopentyloxy)-4,4,4-trinitro-1-buten-1-ol

  • Molecular FormulaC9H13N3O8
  • Average mass291.215 Da
  • Monoisotopic mass291.070251 Da
  • ChemSpider ID95720884

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E)-1-(Cyclopentyloxy)-4,4,4-trinitro-1-buten-1-ol [German] [ACD/IUPAC Name]
(1E)-1-(Cyclopentyloxy)-4,4,4-trinitro-1-buten-1-ol [ACD/IUPAC Name]
(1E)-1-(Cyclopentyloxy)-4,4,4-trinitro-1-butén-1-ol [French] [ACD/IUPAC Name]
1-Buten-1-ol, 1-(cyclopentyloxy)-4,4,4-trinitro-, (1E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 408.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±6.0 kJ/mol
Flash Point: 200.7±28.7 °C
Index of Refraction: 1.563
Molar Refractivity: 62.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 879.16
ACD/KOC (pH 5.5): 4452.37
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 711.08
ACD/KOC (pH 7.4): 3601.18
Polar Surface Area: 167 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 193.2±5.0 cm3

Click to predict properties on the Chemicalize site


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