ChemSpider 2D Image | 3-{[2-(2-Hydroxyethoxy)ethoxy]methyl}heptanoic acid | C12H24O5

3-{[2-(2-Hydroxyethoxy)ethoxy]methyl}heptanoic acid

  • Molecular FormulaC12H24O5
  • Average mass248.316 Da
  • Monoisotopic mass248.162369 Da
  • ChemSpider ID34501345

More details:






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

3-{[2-(2-Hydroxyethoxy)ethoxy]methyl}heptanoic acid [ACD/IUPAC Name]
3-{[2-(2-Hydroxyethoxy)ethoxy]methyl}heptansäure [German] [ACD/IUPAC Name]
Acide 3-{[2-(2-hydroxyéthoxy)éthoxy]méthyl}heptanoïque [French] [ACD/IUPAC Name]
Heptanoic acid, 3-[[2-(2-hydroxyethoxy)ethoxy]methyl]- [ACD/Index Name]
1COOH-2But-A7EO2

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

Density: 1.1±0.1 g/cm3
Boiling Point: 400.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.3±6.0 kJ/mol
Flash Point: 145.9±18.1 °C
Index of Refraction: 1.466
Molar Refractivity: 64.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.49
ACD/LogD (pH 7.4): -1.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 231.8±3.0 cm3

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