ChemSpider 2D Image | (S)-(-)-1-PHENYLPROPYL ISOCYANATE | C10H13NO

(S)-(-)-1-PHENYLPROPYL ISOCYANATE

  • Molecular FormulaC10H13NO
  • Average mass163.216 Da
  • Monoisotopic mass163.099716 Da
  • ChemSpider ID49072638

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-(-)-1-PHENYLPROPYL ISOCYANATE
[(1S)-1-Phenylpropyl]imidoameisensäure [German] [ACD/IUPAC Name]
[(1S)-1-Phenylpropyl]imidoformic acid [ACD/IUPAC Name]
Acide [(1S)-1-phénylpropyl]imidoformique [French] [ACD/IUPAC Name]
Methanimidic acid, [(1S)-1-phenylpropyl]- [ACD/Index Name]
MFCD05664090 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 276.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.4±3.0 kJ/mol
Flash Point: 161.9±14.6 °C
Index of Refraction: 1.512
Molar Refractivity: 49.8±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 6.81
ACD/KOC (pH 5.5): 97.53
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 6.89
ACD/KOC (pH 7.4): 98.65
Polar Surface Area: 33 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 34.9±7.0 dyne/cm
Molar Volume: 166.1±7.0 cm3

Click to predict properties on the Chemicalize site


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