ChemSpider 2D Image | .ALPHA.-PHP | C16H23NO

α-PHP

  • Molecular FormulaC16H23NO
  • Average mass245.360 Da
  • Monoisotopic mass245.177963 Da
  • ChemSpider ID52084419

More details:






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

13415-86-6 [RN]
1-Hexanone, 1-phenyl-2-(1-pyrrolidinyl)- [ACD/Index Name]
1-Phenyl-2-(1-pyrrolidinyl)-1-hexanon [German] [ACD/IUPAC Name]
1-Phenyl-2-(1-pyrrolidinyl)-1-hexanone [ACD/IUPAC Name]
1-Phényl-2-(1-pyrrolidinyl)-1-hexanone [French] [ACD/IUPAC Name]
α-PHP
α-Pyrrolidinohexiophenone
??-pyrrolidinohexanophenone
α-Pyrrolidinohexanophenone [ACD/IUPAC Name]

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

297J9K8A4G [DBID]
UNII:297J9K8A4G [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 355.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.1±3.0 kJ/mol
Flash Point: 123.3±12.5 °C
Index of Refraction: 1.533
Molar Refractivity: 74.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.30
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 27.62
ACD/KOC (pH 7.4): 180.40
Polar Surface Area: 20 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 240.8±3.0 cm3

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