ChemSpider 2D Image | Dimethyl (1S,2S)-4,4-difluoro-1,2-cyclohexanedicarboxylate | C10H14F2O4

Dimethyl (1S,2S)-4,4-difluoro-1,2-cyclohexanedicarboxylate

  • Molecular FormulaC10H14F2O4
  • Average mass236.213 Da
  • Monoisotopic mass236.086014 Da
  • ChemSpider ID71061068

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-4,4-Difluoro-1,2-cyclohexanedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
1,2-Cyclohexanedicarboxylic acid, 4,4-difluoro-, dimethyl ester, (1S,2S)- [ACD/Index Name]
Dimethyl (1S,2S)-4,4-difluoro-1,2-cyclohexanedicarboxylate [ACD/IUPAC Name]
Dimethyl-(1S,2S)-4,4-difluor-1,2-cyclohexandicarboxylat [German] [ACD/IUPAC Name]
1,2-dimethyl (1S,2S)-4,4-difluorocyclohexane-1,2-dicarboxylate
2231665-01-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 263.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.1±3.0 kJ/mol
Flash Point: 109.7±22.2 °C
Index of Refraction: 1.431
Molar Refractivity: 50.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.02
ACD/KOC (pH 5.5): 125.82
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.02
ACD/KOC (pH 7.4): 125.82
Polar Surface Area: 53 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 32.3±5.0 dyne/cm
Molar Volume: 194.0±5.0 cm3

Click to predict properties on the Chemicalize site


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