ChemSpider 2D Image | (4-Heptylphenyl)-4-isoquinolinylmethanone | C23H25NO

(4-Heptylphenyl)-4-isoquinolinylmethanone

  • Molecular FormulaC23H25NO
  • Average mass331.451 Da
  • Monoisotopic mass331.193604 Da
  • ChemSpider ID27525427

More details:






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

(4-Heptylphenyl)(4-isochinolinyl)methanon [German] [ACD/IUPAC Name]
(4-Heptylphényl)(4-isoquinoléinyl)méthanone [French] [ACD/IUPAC Name]
(4-Heptylphenyl)(4-isoquinolinyl)methanone [ACD/IUPAC Name]
(4-Heptylphenyl)(isoquinolin-4-yl)methanone
(4-Heptylphenyl)-4-isoquinolinylmethanone
1187169-78-3 [RN]
Methanone, (4-heptylphenyl)-4-isoquinolinyl- [ACD/Index Name]
(4-heptylphenyl)-isoquinolin-4-ylmethanone
4-(4-Heptylbenzoyl)isoquinoline
MFCD13153044 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 500.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 257.6±32.8 °C
Index of Refraction: 1.590
Molar Refractivity: 104.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 7.33
ACD/BCF (pH 5.5): 219877.95
ACD/KOC (pH 5.5): 231802.70
ACD/LogD (pH 7.4): 7.33
ACD/BCF (pH 7.4): 220566.58
ACD/KOC (pH 7.4): 232528.69
Polar Surface Area: 30 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 310.2±3.0 cm3

Click to predict properties on the Chemicalize site






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