ChemSpider 2D Image | Dimethyl 3,3'-{[4,6-bis(octyloxy)-1,3-phenylene]bis(carbonyl-2,1-hydrazinediylcarbonyl)}bis(2-methoxybenzoate) | C44H58N4O12

Dimethyl 3,3'-{[4,6-bis(octyloxy)-1,3-phenylene]bis(carbonyl-2,1-hydrazinediylcarbonyl)}bis(2-methoxybenzoate)

  • Molecular FormulaC44H58N4O12
  • Average mass834.951 Da
  • Monoisotopic mass834.405151 Da
  • ChemSpider ID30660471

More details:

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

1,3-Benzenedicarboxylic acid, 4,6-bis(octyloxy)-, bis[2-[2-methoxy-3-(methoxycarbonyl)benzoyl]hydrazide] [ACD/Index Name]
3,3'-{[4,6-Bis(octyloxy)-1,3-phénylène]bis(carbonyl-2,1-hydrazinediylcarbonyl)}bis(2-méthoxybenzoate) de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 3,3'-{[4,6-bis(octyloxy)-1,3-phenylene]bis(carbonyl-2,1-hydrazinediylcarbonyl)}bis(2-methoxybenzoate) [ACD/IUPAC Name]
Dimethyl-3,3'-{[4,6-bis(octyloxy)-1,3-phenylen]bis(carbonyl-2,1-hydrazindiylcarbonyl)}bis(2-methoxybenzoat) [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 982.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.3±3.0 kJ/mol
Flash Point: 547.8±34.3 °C
Index of Refraction: 1.549
Molar Refractivity: 225.7±0.3 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: 9.59
ACD/LogD (pH 5.5): 8.05
ACD/BCF (pH 5.5): 771080.56
ACD/KOC (pH 5.5): 569552.44
ACD/LogD (pH 7.4): 8.04
ACD/BCF (pH 7.4): 760639.44
ACD/KOC (pH 7.4): 561840.19
Polar Surface Area: 206 Å2
Polarizability: 89.5±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 709.5±3.0 cm3

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