ChemSpider 2D Image | 3-[4-(Difluoromethoxy)-3-formyl-5-methylphenyl]-2-propynoic acid | C12H8F2O4

3-[4-(Difluoromethoxy)-3-formyl-5-methylphenyl]-2-propynoic acid

  • Molecular FormulaC12H8F2O4
  • Average mass254.186 Da
  • Monoisotopic mass254.039063 Da
  • ChemSpider ID65407710

More details:

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

2-Propynoic acid, 3-[4-(difluoromethoxy)-3-formyl-5-methylphenyl]- [ACD/Index Name]
3-[4-(Difluormethoxy)-3-formyl-5-methylphenyl]-2-propinsäure [German] [ACD/IUPAC Name]
3-[4-(Difluoromethoxy)-3-formyl-5-methylphenyl]-2-propynoic acid [ACD/IUPAC Name]
Acide 3-[4-(difluorométhoxy)-3-formyl-5-méthylphényl]-2-propynoïque [French] [ACD/IUPAC Name]
2172166-37-7 [RN]
3-[4-(difluoromethoxy)-3-formyl-5-methylphenyl]prop-2-ynoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 424.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 210.7±28.7 °C
Index of Refraction: 1.542
Molar Refractivity: 56.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 179.6±5.0 cm3

Click to predict properties on the Chemicalize site


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