ChemSpider 2D Image | 1-Phenyl-3-propyl-1H-pyrazole | C12H14N2

1-Phenyl-3-propyl-1H-pyrazole

  • Molecular FormulaC12H14N2
  • Average mass186.253 Da
  • Monoisotopic mass186.115692 Da
  • ChemSpider ID28588572

More details:

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

1H-Pyrazole, 1-phenyl-3-propyl- [ACD/Index Name]
1-Phenyl-3-propyl-1H-pyrazol [German] [ACD/IUPAC Name]
1-Phenyl-3-propyl-1H-pyrazole [ACD/IUPAC Name]
1-Phényl-3-propyl-1H-pyrazole [French] [ACD/IUPAC Name]
91688-39-0 [RN]
T5NNJ AR& C3 [WLN]
MFCD21668116 [MDL number]
UNII-8GD8CC3AU4

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

5647U70O2D [DBID]
UNII:5647U70O2D [DBID]
UNII-5647U70O2D [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 289.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.7±3.0 kJ/mol
Flash Point: 128.6±18.7 °C
Index of Refraction: 1.563
Molar Refractivity: 59.6±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 88.66
ACD/KOC (pH 5.5): 862.53
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 88.66
ACD/KOC (pH 7.4): 862.55
Polar Surface Area: 18 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 37.7±7.0 dyne/cm
Molar Volume: 183.3±7.0 cm3

Click to predict properties on the Chemicalize site


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