Found 254 results

Search term: MF = 'C_{34}H_{31}NO_{4}'
ChemSpider 2D Image | 4-{[(4'-Cyano-4-biphenylyl)oxy]carbonyl}phenyl 4-heptylbenzoate | C34H31NO4

4-{[(4'-Cyano-4-biphenylyl)oxy]carbonyl}phenyl 4-heptylbenzoate

  • Molecular FormulaC34H31NO4
  • Average mass517.614 Da
  • Monoisotopic mass517.225281 Da
  • ChemSpider ID2349584

More details:

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

4-{[(4'-Cyan-4-biphenylyl)oxy]carbonyl}phenyl-4-heptylbenzoat [German] [ACD/IUPAC Name]
4-{[(4'-Cyano-4-biphenylyl)oxy]carbonyl}phenyl 4-heptylbenzoate [ACD/IUPAC Name]
4-Heptylbenzoate de 4-{[(4'-cyano-4-biphénylyl)oxy]carbonyl}phényle [French] [ACD/IUPAC Name]
Benzoic acid, 4-heptyl-, 4-[[(4'-cyano[1,1'-biphenyl]-4-yl)oxy]carbonyl]phenyl ester [ACD/Index Name]

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

BAS 00162452 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 687.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 288.8±21.7 °C
Index of Refraction: 1.622
Molar Refractivity: 150.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 9.94
ACD/LogD (pH 5.5): 9.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4406908.50
ACD/LogD (pH 7.4): 9.68
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4406908.50
Polar Surface Area: 76 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 428.3±5.0 cm3

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