ChemSpider 2D Image | (1-Isocyanatopropyl)benzene | C10H11NO

(1-Isocyanatopropyl)benzene

  • Molecular FormulaC10H11NO
  • Average mass161.200 Da
  • Monoisotopic mass161.084061 Da
  • ChemSpider ID11561160

More details:

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

(1-Isocyanatopropyl)benzene [ACD/IUPAC Name]
(1-Isocyanatopropyl)benzène [French] [ACD/IUPAC Name]
(1-Isocyanatopropyl)benzol [German] [ACD/IUPAC Name]
Benzene, (1-isocyanatopropyl)- [ACD/Index Name]
(R)-(+)-1-Phenylpropyl isocyanate
(S)-(-)-1-PHENYLPROPYL ISOCYANATE
164033-11-8 [RN]
164033-12-9 [RN]
21962-56-1 [RN]
MFCD18263452

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

Density: 1.0±0.0 g/cm3
Boiling Point: 224.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.0 mmHg at 25°C
Enthalpy of Vaporization: 46.0±0.0 kJ/mol
Flash Point: 65.8±0.0 °C
Index of Refraction: 1.512
Molar Refractivity: 49.8±0.0 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 296.34
ACD/KOC (pH 5.5): 2046.04
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 296.34
ACD/KOC (pH 7.4): 2046.04
Polar Surface Area: 29 Å2
Polarizability: 19.7±0.0 10-24cm3
Surface Tension: 34.9±0.0 dyne/cm
Molar Volume: 166.1±0.0 cm3

Click to predict properties on the Chemicalize site


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