ChemSpider 2D Image | (2R,2'S)-3,3'-[2,2-Propanediylbis(4,1-phenyleneoxy)]bis(1-chloro-2-propanol) | C21H26Cl2O4

(2R,2'S)-3,3'-[2,2-Propanediylbis(4,1-phenyleneoxy)]bis(1-chloro-2-propanol)

  • Molecular FormulaC21H26Cl2O4
  • Average mass413.335 Da
  • Monoisotopic mass412.120819 Da
  • ChemSpider ID68911736

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,2'S)-3,3'-[2,2-Propandiylbis(4,1-phenylenoxy)]bis(1-chlor-2-propanol) [German] [ACD/IUPAC Name]
(2R,2'S)-3,3'-[2,2-Propanediylbis(4,1-phenyleneoxy)]bis(1-chloro-2-propanol) [ACD/IUPAC Name]
(2R,2'S)-3,3'-[2,2-Propanediylbis(4,1-phénylèneoxy)]bis(1-chloro-2-propanol) [French] [ACD/IUPAC Name]
2-Propanol, 3,3'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[1-chloro-, (2R,2'S)- [ACD/Index Name]
1203490-23-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 585.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 307.7±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 109.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1348.86
ACD/KOC (pH 5.5): 6053.81
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1348.86
ACD/KOC (pH 7.4): 6053.79
Polar Surface Area: 59 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 335.3±3.0 cm3

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