ChemSpider 2D Image | 4-[2-(Dibutylamino)-4-(2,4,4-trimethyl-2-pentanyl)phenoxy]butanoic acid | C26H45NO3

4-[2-(Dibutylamino)-4-(2,4,4-trimethyl-2-pentanyl)phenoxy]butanoic acid

  • Molecular FormulaC26H45NO3
  • Average mass419.640 Da
  • Monoisotopic mass419.339935 Da
  • ChemSpider ID28714102

More details:

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

4-[2-(Dibutylamino)-4-(2,4,4-trimethyl-2-pentanyl)phenoxy]butanoic acid [ACD/IUPAC Name]
4-[2-(Dibutylamino)-4-(2,4,4-trimethyl-2-pentanyl)phenoxy]butansäure [German] [ACD/IUPAC Name]
Acide 4-[2-(dibutylamino)-4-(2,4,4-triméthyl-2-pentanyl)phénoxy]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[2-(dibutylamino)-4-(1,1,3,3-tetramethylbutyl)phenoxy]- [ACD/Index Name]
4-(2-(Dibutylamino)-4-(2,4,4-trimethylpentan-2-yl)phenoxy)butanoic acid
4-[2-(Dibutylamino)-4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoic acid
97888-23-8 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 533.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 276.5±30.1 °C
Index of Refraction: 1.508
Molar Refractivity: 127.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 8.91
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 1236.33
ACD/KOC (pH 5.5): 1276.14
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 563.46
ACD/KOC (pH 7.4): 581.60
Polar Surface Area: 50 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 427.4±3.0 cm3

Click to predict properties on the Chemicalize site


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