ChemSpider 2D Image | MFCD06799457 | C12H18O4

MFCD06799457

  • Molecular FormulaC12H18O4
  • Average mass226.269 Da
  • Monoisotopic mass226.120514 Da
  • ChemSpider ID27471269

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(±)-DIETHYL TRANS-4-CYCLOHEXENE-1,2-DICARBOXYLATE
(1R,2R)-4-Cyclohexène-1,2-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
4-Cyclohexene-1,2-dicarboxylic acid, diethyl ester, (1R,2R)- [ACD/Index Name]
5048-50-0 [RN]
Diethyl (1R,2R)-4-cyclohexene-1,2-dicarboxylate [ACD/IUPAC Name]
Diethyl trans-1,2,3,6-Tetrahydrophthalate
Diethyl-(1R,2R)-4-cyclohexen-1,2-dicarboxylat [German] [ACD/IUPAC Name]
MFCD06799457
trans-4-Cyclohexene-1,2-dicarboxylic acid diethyl ester
trans-Diethyl cyclohex-4-ene-1,2-dicarboxylate
More...
  • Miscellaneous

    • Safety:

      H302+H312+H332 W&J PharmaChem, Inc. [203353]
      P302+P352+P304+P312+P503+P351+P338+P403+P235+P280+P260 W&J PharmaChem, Inc. [203353]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 293.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.3±3.0 kJ/mol
Flash Point: 138.1±25.7 °C
Index of Refraction: 1.474
Molar Refractivity: 58.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.24
ACD/KOC (pH 5.5): 524.47
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.24
ACD/KOC (pH 7.4): 524.47
Polar Surface Area: 53 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 208.0±3.0 cm3

Click to predict properties on the Chemicalize site


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