Found 35 results

Search term: MF = 'C_{4}H_{4}ClNO'
ChemSpider 2D Image | 4-Chloro-3-oxobutanenitrile | C4H4ClNO

4-Chloro-3-oxobutanenitrile

  • Molecular FormulaC4H4ClNO
  • Average mass117.534 Da
  • Monoisotopic mass116.998138 Da
  • ChemSpider ID61227012

More details:

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

4-Chlor-3-oxobutannitril [German] [ACD/IUPAC Name]
4-Chloro-3-oxobutanenitrile [ACD/IUPAC Name]
4-Chloro-3-oxobutanenitrile [French] [ACD/IUPAC Name]
Butanenitrile, 4-chloro-3-oxo- [ACD/Index Name]
182503-30-6 [RN]
4-chloro-3-oxobutyronitrile

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

Density: 1.2±0.1 g/cm3
Boiling Point: 179.9±15.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.6±3.0 kJ/mol
Flash Point: 62.6±20.4 °C
Index of Refraction: 1.439
Molar Refractivity: 25.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.45
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.68
Polar Surface Area: 41 Å2
Polarizability: 10.1±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 96.4±3.0 cm3

Click to predict properties on the Chemicalize site


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