ChemSpider 2D Image | 8,8'-Dicyano-6,6',7,7'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-1,1'-diyl dibutanoate | C38H40N2O8

8,8'-Dicyano-6,6',7,7'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-1,1'-diyl dibutanoate

  • Molecular FormulaC38H40N2O8
  • Average mass652.733 Da
  • Monoisotopic mass652.278442 Da
  • ChemSpider ID23146596

More details:

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

8,8'-Dicyan-6,6',7,7'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalin-1,1'-diyl-dibutanoat [German] [ACD/IUPAC Name]
8,8'-Dicyano-6,6',7,7'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-1,1'-diyl dibutanoate [ACD/IUPAC Name]
Butanoic acid, 8,8'-dicyano-6,6',7,7'-tetrahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-1,1'-diyl ester [ACD/Index Name]
Dibutanoate de 8,8'-dicyano-6,6',7,7'-tétrahydroxy-5,5'-diisopropyl-3,3'-diméthyl-2,2'-binaphtalène-1,1'-diyle [French] [ACD/IUPAC Name]
Butyric acid 1'-butyryloxy-8,8'-dicyano-6,7,6',7'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2']binaphthalenyl-1-yl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 818.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.0±3.0 kJ/mol
Flash Point: 448.7±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 179.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 9.98
ACD/LogD (pH 5.5): 7.62
ACD/BCF (pH 5.5): 323983.81
ACD/KOC (pH 5.5): 269158.41
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 1322.53
ACD/KOC (pH 7.4): 1098.73
Polar Surface Area: 181 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 485.1±5.0 cm3

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