ChemSpider 2D Image | 4-(Dihydroxyboryl)-2-(heptyloxy)benzoic acid | C14H21BO5

4-(Dihydroxyboryl)-2-(heptyloxy)benzoic acid

  • Molecular FormulaC14H21BO5
  • Average mass280.125 Da
  • Monoisotopic mass280.148193 Da
  • ChemSpider ID62866763

More details:

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

4-(Dihydroxyboryl)-2-(heptyloxy)benzoesäure [German] [ACD/IUPAC Name]
4-(Dihydroxyboryl)-2-(heptyloxy)benzoic acid [ACD/IUPAC Name]
Acide 4-(dihydroxyboryl)-2-(heptyloxy)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-borono-2-(heptyloxy)- [ACD/Index Name]
1394902-34-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 472.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 239.5±31.5 °C
Index of Refraction: 1.531
Molar Refractivity: 73.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 5.52
ACD/KOC (pH 5.5): 25.82
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.70
Polar Surface Area: 87 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 238.1±5.0 cm3

Click to predict properties on the Chemicalize site


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