ChemSpider 2D Image | 2-(Acetoxymethyl)-2-[(allyloxy)methyl]butyl acetate | C13H22O5

2-(Acetoxymethyl)-2-[(allyloxy)methyl]butyl acetate

  • Molecular FormulaC13H22O5
  • Average mass258.311 Da
  • Monoisotopic mass258.146729 Da
  • ChemSpider ID16089895

More details:






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

1,3-Propanediol, 2-ethyl-2-[(2-propen-1-yloxy)methyl]-, 1,3-diacetate
1,3-Propanediol, 2-ethyl-2-[(2-propen-1-yloxy)methyl]-, diacetate [ACD/Index Name]
2-(Acetoxymethyl)-2-[(allyloxy)methyl]butyl acetate [ACD/IUPAC Name]
2-(Acetoxymethyl)-2-[(allyloxy)methyl]butyl-acetat [German] [ACD/IUPAC Name]
67385-16-4 [RN]
Acétate de 2-(acétoxyméthyl)-2-[(allyloxy)méthyl]butyle [French] [ACD/IUPAC Name]
1,3-PROPANEDIOL,2-ETHYL-2-[(2-ALLYLOXY)METHYL]-,DIACETATE
2-[(ACETYLOXY)METHYL]-2-[(PROP-2-EN-1-YLOXY)METHYL]BUTYL ACETATE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 318.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.0±3.0 kJ/mol
Flash Point: 134.8±26.5 °C
Index of Refraction: 1.447
Molar Refractivity: 67.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.14
ACD/KOC (pH 5.5): 435.61
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.14
ACD/KOC (pH 7.4): 435.61
Polar Surface Area: 62 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 251.6±3.0 cm3

Click to predict properties on the Chemicalize site






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