ChemSpider 2D Image | 4-(2-Propyn-1-yloxy)-2-(trifluoromethyl)benzoic acid | C11H7F3O3

4-(2-Propyn-1-yloxy)-2-(trifluoromethyl)benzoic acid

  • Molecular FormulaC11H7F3O3
  • Average mass244.167 Da
  • Monoisotopic mass244.034729 Da
  • ChemSpider ID34041465

More details:

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

4-(2-Propin-1-yloxy)-2-(trifluormethyl)benzoesäure [German] [ACD/IUPAC Name]
4-(2-Propyn-1-yloxy)-2-(trifluoromethyl)benzoic acid [ACD/IUPAC Name]
Acide 4-(2-propyn-1-yloxy)-2-(trifluorométhyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(2-propyn-1-yloxy)-2-(trifluoromethyl)- [ACD/Index Name]
1275293-72-5 [RN]
4-(Prop-2-yn-1-yloxy)-2-(trifluoromethyl)benzoic 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: 325.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.9±3.0 kJ/mol
Flash Point: 150.4±27.9 °C
Index of Refraction: 1.501
Molar Refractivity: 51.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.93
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 176.3±3.0 cm3

Click to predict properties on the Chemicalize site


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