ChemSpider 2D Image | Ethyl tetrahydro-2H-pyran-4-carboxylate | C8H14O3

Ethyl tetrahydro-2H-pyran-4-carboxylate

  • Molecular FormulaC8H14O3
  • Average mass158.195 Da
  • Monoisotopic mass158.094299 Da
  • ChemSpider ID14270435

More details:






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

2H-Pyran-4-carboxylic acid, tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl tetrahydro-2H-pyran-4-carboxylate [ACD/IUPAC Name]
Ethyl-tetrahydro-2H-pyran-4-carboxylat [German] [ACD/IUPAC Name]
Tétrahydro-2H-pyrane-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
[96835-17-5]
110238-91-1 [RN]
2H-Pyran-4-carboxylic acid tetrahydro ethyl ester
2H-Pyran-4-carboxylicacid,tetrahydro-,ethyl ester
4-oxanecarboxylic acid ethyl ester
96835-17-5 [RN]
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-24173]
    • Safety:

      20/21/22 Novochemy [NC-24173]
      20/21/36/37/39 Novochemy [NC-24173]
      GHS07; GHS09 Novochemy [NC-24173]
      H332; H403 Novochemy [NC-24173]
      IRRITANT Matrix Scientific 071296
      P332+P313; P305+P351+P338 Novochemy [NC-24173]
      Warning Novochemy [NC-24173]
      Xn Novochemy [NC-24173]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 209.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.6±3.0 kJ/mol
Flash Point: 79.1±20.0 °C
Index of Refraction: 1.444
Molar Refractivity: 40.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.27
ACD/KOC (pH 5.5): 98.38
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.27
ACD/KOC (pH 7.4): 98.38
Polar Surface Area: 36 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 151.6±3.0 cm3

Click to predict properties on the Chemicalize site






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