ChemSpider 2D Image | [4-({[4-(2-Methyl-2-propanyl)benzyl]oxy}carbonyl)phenyl]boronic acid | C18H21BO4

[4-({[4-(2-Methyl-2-propanyl)benzyl]oxy}carbonyl)phenyl]boronic acid

  • Molecular FormulaC18H21BO4
  • Average mass312.168 Da
  • Monoisotopic mass312.153290 Da
  • ChemSpider ID35807869

More details:

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

[4-({[4-(2-Methyl-2-propanyl)benzyl]oxy}carbonyl)phenyl]boronic acid [ACD/IUPAC Name]
[4-({[4-(2-Methyl-2-propanyl)benzyl]oxy}carbonyl)phenyl]borsäure [German] [ACD/IUPAC Name]
Acide [4-({[4-(2-méthyl-2-propanyl)benzyl]oxy}carbonyl)phényl]boronique [French] [ACD/IUPAC Name]
Benzoic acid, 4-borono-, [4-(1,1-dimethylethyl)phenyl]methyl ester [ACD/Index Name]
BENZOIC ACID, 4-BORONO-, 1-[[4-(1,1-DIMETHYLETHYL)PHENYL]METHYL] ESTER

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

Density: 1.2±0.1 g/cm3
Boiling Point: 479.7±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 243.9±29.3 °C
Index of Refraction: 1.568
Molar Refractivity: 87.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2240.56
ACD/KOC (pH 5.5): 8697.03
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1776.92
ACD/KOC (pH 7.4): 6897.35
Polar Surface Area: 67 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 267.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement