Deprecated ChemSpider Record

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ChemSpider 2D Image | hexadecan-1-ol; 2-methyloxirane; oxirane | C21H44O3

hexadecan-1-ol; 2-methyloxirane; oxirane

  • Molecular FormulaC21H44O3
  • Average mass344.572 Da
  • Monoisotopic mass344.329041 Da
  • ChemSpider ID55354

More details:

Date of deprecation: 17:00, Sep 4, 2013
Reason for deprecation: Deprecate record: mixture of different related compounds (appears to be an attempt to depict a polymer as its monomer) - only supporting datasource is PubChem

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

Cetyl Alcohol, Ethoxylated, Propoxylated
PPG-5 Ceteth-20

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

Density:
Boiling Point: 310.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 64.0±0.0 kJ/mol
Flash Point: 135.0±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 7.25
ACD/LogD (pH 5.5): 7.25
ACD/BCF (pH 5.5): 191016.84
ACD/KOC (pH 5.5): 209781.34
ACD/LogD (pH 7.4): 7.25
ACD/BCF (pH 7.4): 191016.84
ACD/KOC (pH 7.4): 209781.34
Polar Surface Area: 9 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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