ChemSpider 2D Image | (4-Butyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetic acid | C13H24O3

(4-Butyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetic acid

  • Molecular FormulaC13H24O3
  • Average mass228.328 Da
  • Monoisotopic mass228.172546 Da
  • ChemSpider ID29772060

More details:






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

(4-Butyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetic acid [ACD/IUPAC Name]
(4-Butyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)essigsäure [German] [ACD/IUPAC Name]
2H-Pyran-4-acetic acid, 4-butyltetrahydro-2,2-dimethyl- [ACD/Index Name]
Acide (4-butyl-2,2-diméthyltétrahydro-2H-pyran-4-yl)acétique [French] [ACD/IUPAC Name]
1574474-88-6 [RN]
2-(4-butyl-2,2-dimethyloxan-4-yl)acetic acid
c13h24o3

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

Density: 1.0±0.1 g/cm3
Boiling Point: 334.4±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.5±6.0 kJ/mol
Flash Point: 117.8±13.9 °C
Index of Refraction: 1.447
Molar Refractivity: 63.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 30.14
ACD/KOC (pH 5.5): 214.24
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.37
Polar Surface Area: 47 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 237.1±3.0 cm3

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