ChemSpider 2D Image | (2E)-3-(sec-Butyldisulfanyl)-2-propen-1-yl 3-acetoxy-3-methylbutanoate | C14H24O4S2

(2E)-3-(sec-Butyldisulfanyl)-2-propen-1-yl 3-acetoxy-3-methylbutanoate

  • Molecular FormulaC14H24O4S2
  • Average mass320.468 Da
  • Monoisotopic mass320.111603 Da
  • ChemSpider ID22936702

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(sec-Butyldisulfanyl)-2-propen-1-yl 3-acetoxy-3-methylbutanoate [ACD/IUPAC Name]
(2E)-3-(sec-Butyldisulfanyl)-2-propen-1-yl-3-acetoxy-3-methylbutanoat [German] [ACD/IUPAC Name]
3-Acétoxy-3-méthylbutanoate de (2E)-3-(sec-butyldisulfanyl)-2-propén-1-yle [French] [ACD/IUPAC Name]
Butanoic acid, 3-(acetyloxy)-3-methyl-, (2E)-3-[(1-methylpropyl)dithio]-2-propen-1-yl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 367.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.4±3.0 kJ/mol
Flash Point: 160.0±15.9 °C
Index of Refraction: 1.511
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1708.92
ACD/KOC (pH 5.5): 7170.99
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1708.92
ACD/KOC (pH 7.4): 7170.99
Polar Surface Area: 103 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 288.6±3.0 cm3

Click to predict properties on the Chemicalize site


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