ChemSpider 2D Image | (2S,3S)-3-Chloro-1,4-bis(3-phenylpropoxy)-2-butanol | C22H29ClO3

(2S,3S)-3-Chloro-1,4-bis(3-phenylpropoxy)-2-butanol

  • Molecular FormulaC22H29ClO3
  • Average mass376.917 Da
  • Monoisotopic mass376.180511 Da
  • ChemSpider ID62821664

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-3-Chlor-1,4-bis(3-phenylpropoxy)-2-butanol [German] [ACD/IUPAC Name]
(2S,3S)-3-Chloro-1,4-bis(3-phenylpropoxy)-2-butanol [ACD/IUPAC Name]
(2S,3S)-3-Chloro-1,4-bis(3-phénylpropoxy)-2-butanol [French] [ACD/IUPAC Name]
2-Butanol, 3-chloro-1,4-bis(3-phenylpropoxy)-, (2S,3S)- [ACD/Index Name]
502641-50-1 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 520.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 268.4±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 107.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3055.40
ACD/KOC (pH 5.5): 10869.43
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3055.40
ACD/KOC (pH 7.4): 10869.41
Polar Surface Area: 39 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 337.4±3.0 cm3

Click to predict properties on the Chemicalize site


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