ChemSpider 2D Image | 3-(3-Chloro-3-buten-1-yl)benzoic acid | C11H11ClO2

3-(3-Chloro-3-buten-1-yl)benzoic acid

  • Molecular FormulaC11H11ClO2
  • Average mass210.657 Da
  • Monoisotopic mass210.044754 Da
  • ChemSpider ID21396707

More details:






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

3-(3-Chlor-3-buten-1-yl)benzoesäure [German] [ACD/IUPAC Name]
3-(3-Chloro-3-buten-1-yl)benzoic acid [ACD/IUPAC Name]
Acide 3-(3-chloro-3-butén-1-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(3-chloro-3-buten-1-yl)- [ACD/Index Name]
3-(3-chloro-3-butenyl)benzoic acid
3-(3-Chlorobut-3-en-1-yl)benzoic acid
3-(3-chlorobut-3-enyl)benzoic acid
732249-18-2 [RN]
MFCD02259920 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 350.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 165.9±24.6 °C
Index of Refraction: 1.562
Molar Refractivity: 56.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 22.04
ACD/KOC (pH 5.5): 133.30
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.75
Polar Surface Area: 37 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 174.1±3.0 cm3

Click to predict properties on the Chemicalize site






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