ChemSpider 2D Image | 2-Methoxy-6-(methylsulfanyl)-4-(trifluoromethyl)benzoic acid | C10H9F3O3S

2-Methoxy-6-(methylsulfanyl)-4-(trifluoromethyl)benzoic acid

  • Molecular FormulaC10H9F3O3S
  • Average mass266.237 Da
  • Monoisotopic mass266.022461 Da
  • ChemSpider ID28189804

More details:

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

2-Methoxy-6-(methylsulfanyl)-4-(trifluormethyl)benzoesäure [German] [ACD/IUPAC Name]
2-Methoxy-6-(methylsulfanyl)-4-(trifluoromethyl)benzoic acid [ACD/IUPAC Name]
Acide 2-méthoxy-6-(méthylsulfanyl)-4-(trifluorométhyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-methoxy-6-(methylthio)-4-(trifluoromethyl)- [ACD/Index Name]
1208984-79-5 [RN]
2-methoxy-6-(methylthio)-4-(trifluoromethyl)benzoic acid
2-Methoxy-6-methylsulfanyl-4-trifluoromethylbenzoic 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: 312.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 142.8±27.9 °C
Index of Refraction: 1.527
Molar Refractivity: 57.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 2.34
ACD/KOC (pH 5.5): 13.56
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.40
Polar Surface Area: 72 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 185.3±5.0 cm3

Click to predict properties on the Chemicalize site


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