ChemSpider 2D Image | (7,7'-Dimethoxy-4,4'-bi-1,3-benzodioxole-5,5'-diyl)bis(methylene) bis(3,4,5-trimethoxybenzoate) | C38H38O16

(7,7'-Dimethoxy-4,4'-bi-1,3-benzodioxole-5,5'-diyl)bis(methylene) bis(3,4,5-trimethoxybenzoate)

  • Molecular FormulaC38H38O16
  • Average mass750.699 Da
  • Monoisotopic mass750.216003 Da
  • ChemSpider ID28523359

More details:

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

(7,7'-Dimethoxy-4,4'-bi-1,3-benzodioxole-5,5'-diyl)bis(methylene) bis(3,4,5-trimethoxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, (7,7'-dimethoxy[4,4'-bi-1,3-benzodioxole]-5,5'-diyl)bis(methylene) ester [ACD/Index Name]
(7,7'-Dimethoxy-4,4'-bi-1,3-benzodioxol-5,5'-diyl)dimethylen-bis(3,4,5-trimethoxybenzoat) [German] [ACD/IUPAC Name]
Bis(3,4,5-triméthoxybenzoate) de (7,7'-diméthoxy-4,4'-bi-1,3-benzodioxole-5,5'-diyl)diméthylène [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 802.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 324.3±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 189.1±0.3 cm3
#H bond acceptors: 16
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1775.58
ACD/KOC (pH 5.5): 7370.13
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1775.58
ACD/KOC (pH 7.4): 7370.13
Polar Surface Area: 163 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 566.3±3.0 cm3

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