ChemSpider 2D Image | 3-Iodo-4-(2-phenylethoxy)benzoic acid | C15H13IO3

3-Iodo-4-(2-phenylethoxy)benzoic acid

  • Molecular FormulaC15H13IO3
  • Average mass368.166 Da
  • Monoisotopic mass367.990936 Da
  • ChemSpider ID23960179

More details:

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

3-Iod-4-(2-phenylethoxy)benzoesäure [German] [ACD/IUPAC Name]
3-Iodo-4-(2-phenylethoxy)benzoic acid [ACD/IUPAC Name]
Acide 3-iodo-4-(2-phényléthoxy)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-iodo-4-(2-phenylethoxy)- [ACD/Index Name]
1131614-92-0 [RN]
3-iodo-4-phenethoxybenzoic acid
3-iodo-4-phenethoxybenzoicacid
MFCD11112946 [MDL number]
N-CBZ-4-(1,3-DIOXOLAN-2-YL)ANILINE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 488.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 249.0±28.7 °C
Index of Refraction: 1.647
Molar Refractivity: 81.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 63.19
ACD/KOC (pH 5.5): 268.64
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 8.36
Polar Surface Area: 47 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 225.2±3.0 cm3

Click to predict properties on the Chemicalize site


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