ChemSpider 2D Image | (1,1,1,3,3,3-~2~H_6_)-2-Propanyl acetate | C5H4D6O2

(1,1,1,3,3,3-2H6)-2-Propanyl acetate

  • Molecular FormulaC5H4D6O2
  • Average mass108.169 Da
  • Monoisotopic mass108.105743 Da
  • ChemSpider ID24606444

  • Non-standard isotope - Non-standard isotope

More details:

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

(1,1,1,3,3,3-2H6)-2-Propanyl acetate [ACD/IUPAC Name]
(1,1,1,3,3,3-2H6)-2-Propanyl-acetat [German] [ACD/IUPAC Name]
2-Propan-1,1,1,3,3,3-d6-ol, acetate [ACD/Index Name]
Acétate de (1,1,1,3,3,3-2H6)-2-propanyle [French] [ACD/IUPAC Name]
ACETIC ACID ISOPROPYL ESTER (1,1,1,3,3,3-D6)
ISOPROPYL ACETATE (1,1,1,3,3,3-D6)

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

Density: 0.9±0.1 g/cm3
Boiling Point: 88.6±8.0 °C at 760 mmHg
Vapour Pressure: 60.7±0.2 mmHg at 25°C
Enthalpy of Vaporization: 32.9±3.0 kJ/mol
Flash Point: 16.7±0.0 °C
Index of Refraction: 1.385
Molar Refractivity: 26.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.88
ACD/KOC (pH 5.5): 123.62
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.88
ACD/KOC (pH 7.4): 123.62
Polar Surface Area: 26 Å2
Polarizability: 10.7±0.5 10-24cm3
Surface Tension: 23.6±3.0 dyne/cm
Molar Volume: 114.9±3.0 cm3

Click to predict properties on the Chemicalize site


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