Deprecated ChemSpider Record

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ChemSpider 2D Image | 2-{[(3-Ethyl-3-octanyl)oxy]carbonyl}benzoate | C18H25O4

2-{[(3-Ethyl-3-octanyl)oxy]carbonyl}benzoate

  • Molecular FormulaC18H25O4
  • Average mass305.389 Da
  • Monoisotopic mass305.175842 Da
  • ChemSpider ID10644775

  • Charge - Charge

More details:

Date of deprecation: 10:39, Apr 13, 2012
Reason for deprecation: Deprecate record: name to structure error

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

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

Density:
Boiling Point: 429.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 72.2±0.0 kJ/mol
Flash Point: 146.6±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 79.15
ACD/KOC (pH 5.5): 202.97
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 7.76
ACD/KOC (pH 7.4): 19.90
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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