ChemSpider 2D Image | Dibenzyl 5,5'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(2,4-dimethyl-5-oxopentanoate) | C36H50N2O8

Dibenzyl 5,5'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(2,4-dimethyl-5-oxopentanoate)

  • Molecular FormulaC36H50N2O8
  • Average mass638.791 Da
  • Monoisotopic mass638.356689 Da
  • ChemSpider ID2350985

More details:

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

1,7-Dioxa-4,10-diazacyclododecane-4,10-dipentanoic acid, α4,α10,γ4,γ10-tetramethyl-δ4,δ10-dioxo-, bis(phenylmethyl) ester [ACD/Index Name]
5,5'-(1,7-Dioxa-4,10-diazacyclododécane-4,10-diyl)bis(2,4-diméthyl-5-oxopentanoate) de dibenzyle [French] [ACD/IUPAC Name]
Dibenzyl 5,5'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(2,4-dimethyl-5-oxopentanoate) [ACD/IUPAC Name]
Dibenzyl-5,5'-(1,7-dioxa-4,10-diazacyclododecan-4,10-diyl)bis(2,4-dimethyl-5-oxopentanoat) [German] [ACD/IUPAC Name]

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

BAS 00227724 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 778.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 424.3±32.9 °C
Index of Refraction: 1.524
Molar Refractivity: 173.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3718.09
ACD/KOC (pH 5.5): 12509.18
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3718.10
ACD/KOC (pH 7.4): 12509.20
Polar Surface Area: 112 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 567.5±3.0 cm3

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