ChemSpider 2D Image | 4-(2-Ethylhexyl)-1-[3-(hexadecyloxy)phenyl]-4,5-dihydro-1H-pyrazol-3-yl carbonate | C34H57N2O4

4-(2-Ethylhexyl)-1-[3-(hexadecyloxy)phenyl]-4,5-dihydro-1H-pyrazol-3-yl carbonate

  • Molecular FormulaC34H57N2O4
  • Average mass557.828 Da
  • Monoisotopic mass557.432373 Da
  • ChemSpider ID57531815

  • Charge - Charge

More details:

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

1H-Pyrazol-3-ol, 4-(2-ethylhexyl)-1-[3-(hexadecyloxy)phenyl]-4,5-dihydro-, hydrogen carbonate (ester), ion(1-) [ACD/Index Name]
4-(2-Ethylhexyl)-1-[3-(hexadecyloxy)phenyl]-4,5-dihydro-1H-pyrazol-3-yl carbonate [ACD/IUPAC Name]
4-(2-Ethylhexyl)-1-[3-(hexadecyloxy)phenyl]-4,5-dihydro-1H-pyrazol-3-ylcarbonat [German] [ACD/IUPAC Name]
Carbonate de 4-(2-éthylhexyl)-1-[3-(hexadécyloxy)phényl]-4,5-dihydro-1H-pyrazol-3-yle [French] [ACD/IUPAC Name]
111882-99-6 [RN]

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

Density:
Boiling Point: 644.5±57.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.6±32.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 12.18
ACD/LogD (pH 5.5): 8.65
ACD/BCF (pH 5.5): 507783.91
ACD/KOC (pH 5.5): 74432.69
ACD/LogD (pH 7.4): 7.61
ACD/BCF (pH 7.4): 46482.38
ACD/KOC (pH 7.4): 6813.55
Polar Surface Area: 74 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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