ChemSpider 2D Image | 1,3-Dihydroxy-2-propanyl 11-(3-hydroxy-5-pentylphenoxy)undecanoate | C25H42O6

1,3-Dihydroxy-2-propanyl 11-(3-hydroxy-5-pentylphenoxy)undecanoate

  • Molecular FormulaC25H42O6
  • Average mass438.597 Da
  • Monoisotopic mass438.298126 Da
  • ChemSpider ID28483635

More details:






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

1,3-Dihydroxy-2-propanyl 11-(3-hydroxy-5-pentylphenoxy)undecanoate [ACD/IUPAC Name]
1,3-Dihydroxy-2-propanyl-11-(3-hydroxy-5-pentylphenoxy)undecanoat [German] [ACD/IUPAC Name]
11-(3-Hydroxy-5-pentylphénoxy)undécanoate de 1,3-dihydroxy-2-propanyle [French] [ACD/IUPAC Name]
Undecanoic acid, 11-(3-hydroxy-5-pentylphenoxy)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 601.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 194.1±23.6 °C
Index of Refraction: 1.517
Molar Refractivity: 123.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 26222.09
ACD/KOC (pH 5.5): 50636.09
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 26106.61
ACD/KOC (pH 7.4): 50413.08
Polar Surface Area: 96 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 407.7±3.0 cm3

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