ChemSpider 2D Image | 4-{[3-(Dibutylamino)(~2~H_6_)propyl]oxy}benzoic acid | C18H23D6NO3

4-{[3-(Dibutylamino)(2H6)propyl]oxy}benzoic acid

  • Molecular FormulaC18H23D6NO3
  • Average mass313.465 Da
  • Monoisotopic mass313.252411 Da
  • ChemSpider ID78333977

  • Non-standard isotope - Non-standard isotope

More details:

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

4-{[3-(Dibutylamino)(2H6)propyl]oxy}benzoesäure [German] [ACD/IUPAC Name]
4-{[3-(Dibutylamino)(2H6)propyl]oxy}benzoic acid [ACD/IUPAC Name]
Acide 4-{[3-(dibutylamino)(2H6)propyl]oxy}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[3-(dibutylamino)propyl-1,1,2,2,3,3-d6]oxy]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 440.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 220.3±23.2 °C
Index of Refraction: 1.515
Molar Refractivity: 89.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 4.80
ACD/KOC (pH 5.5): 20.50
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 5.07
ACD/KOC (pH 7.4): 21.64
Polar Surface Area: 50 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 298.3±3.0 cm3

Click to predict properties on the Chemicalize site


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