Found 1 result

Search term: KCBPKDIEBUAJDM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1,8-Bis(heptyloxy)-1,8-octanediol | C22H46O4

1,8-Bis(heptyloxy)-1,8-octanediol

  • Molecular FormulaC22H46O4
  • Average mass374.598 Da
  • Monoisotopic mass374.339600 Da
  • ChemSpider ID28706638

More details:

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

1,8-Bis(heptyloxy)-1,8-octandiol [German] [ACD/IUPAC Name]
1,8-Bis(heptyloxy)-1,8-octanediol [ACD/IUPAC Name]
1,8-Bis(heptyloxy)-1,8-octanediol [French] [ACD/IUPAC Name]
1,8-Octanediol, 1,8-bis(heptyloxy)- [ACD/Index Name]
1,8-BIS(HEPTYLOXY)OCTANE-1,8-DIOL
89990-99-8 [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: 431.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.3±6.0 kJ/mol
Flash Point: 214.6±28.7 °C
Index of Refraction: 1.464
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 6.81
ACD/BCF (pH 5.5): 87807.19
ACD/KOC (pH 5.5): 120270.39
ACD/LogD (pH 7.4): 6.81
ACD/BCF (pH 7.4): 87807.00
ACD/KOC (pH 7.4): 120270.13
Polar Surface Area: 59 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 400.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement