Deprecated ChemSpider Record

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ChemSpider 2D Image | Terephthalic acid - 1,2-ethanediol (1:1) | C10H12O6

Terephthalic acid - 1,2-ethanediol (1:1)

  • Molecular FormulaC10H12O6
  • Average mass228.199 Da
  • Monoisotopic mass228.063385 Da
  • ChemSpider ID11184247

More details:

Date of deprecation: 10:20, Sep 24, 2013
Reason for deprecation: Deprecate record: appears to be an erroneous depiction of a polymer as it's monomers

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

1,4-Benzenedicarboxylic acid, compd. with 1,2-ethanediol (1:1) [ACD/Index Name]
Acide téréphtalique - 1,2-éthanediol (1:1) [French] [ACD/IUPAC Name]
Terephthalic acid - 1,2-ethanediol (1:1) [ACD/IUPAC Name]
Terephthalsäure --1,2-ethandiol (1:1) [German] [ACD/IUPAC Name]
25038-59-9 [RN]
benzene-1,4-dicarboxylic acid; ethane-1,2-diol
Cleartuf series

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

  • Miscellaneous
    • Toxicity:

      Organic Compound; Plasticizer; Aromatic Hydrocarbon; Phthalate; Food Toxin; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound Toxin, Toxin-Target Database T3D3659

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

Boiling Point: 530.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 84.8±0.0 kJ/mol
Flash Point: 288.6±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.31
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site