ChemSpider 2D Image | 1-{3-(Heptyloxy)-2,2-bis[(heptyloxy)methyl]propoxy}heptane | C33H68O4

1-{3-(Heptyloxy)-2,2-bis[(heptyloxy)methyl]propoxy}heptane

  • Molecular FormulaC33H68O4
  • Average mass528.891 Da
  • Monoisotopic mass528.511780 Da
  • ChemSpider ID95198

More details:

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

1-{3-(Heptyloxy)-2,2-bis[(heptyloxy)methyl]propoxy}heptan [German] [ACD/IUPAC Name]
1-{3-(Heptyloxy)-2,2-bis[(heptyloxy)methyl]propoxy}heptane [ACD/IUPAC Name]
1-{3-(Heptyloxy)-2,2-bis[(heptyloxy)méthyl]propoxy}heptane [French] [ACD/IUPAC Name]
1-[3-(HEPTYLOXY)-2,2-BIS[(HEPTYLOXY)METHYL]PROPOXY]HEPTANE
267-022-2 [EINECS]
67762-53-2 [RN]
68368-56-9 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 570.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: -192.9±45.0 °C
Index of Refraction: 1.453
Molar Refractivity: 161.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 13.52
ACD/LogD (pH 5.5): 13.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 37 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 31.5±3.0 dyne/cm
Molar Volume: 598.8±3.0 cm3

Click to predict properties on the Chemicalize site


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