ChemSpider 2D Image | 4-[2-(1,1,3,3-Tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid | C23H26O4

4-[2-(1,1,3,3-Tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid

  • Molecular FormulaC23H26O4
  • Average mass366.450 Da
  • Monoisotopic mass366.183105 Da
  • ChemSpider ID25060339

More details:






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

4-[2-(1,1,3,3-Tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoesäure [German] [ACD/IUPAC Name]
4-[2-(1,1,3,3-Tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid [ACD/IUPAC Name]
Acide 4-[2-(1,1,3,3-tétraméthyl-2,3-dihydro-1H-indén-5-yl)-1,3-dioxolan-2-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-(2,3-dihydro-1,1,3,3-tetramethyl-1H-inden-5-yl)-1,3-dioxolan-2-yl]- [ACD/Index Name]
P26

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

Density: 1.2±0.1 g/cm3
Boiling Point: 481.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 162.3±22.2 °C
Index of Refraction: 1.569
Molar Refractivity: 103.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 1127.80
ACD/KOC (pH 5.5): 2186.68
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 32.89
ACD/KOC (pH 7.4): 63.77
Polar Surface Area: 56 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 316.1±3.0 cm3

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