Found 1905 results

Search term: MF = 'C_{16}H_{20}O_{3}S'
ChemSpider 2D Image | 2,2-Dimethyl-5-hexyn-3-yl 3-(methylsulfinyl)benzoate | C16H20O3S

2,2-Dimethyl-5-hexyn-3-yl 3-(methylsulfinyl)benzoate

  • Molecular FormulaC16H20O3S
  • Average mass292.393 Da
  • Monoisotopic mass292.113312 Da
  • ChemSpider ID35186308

More details:

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

2,2-Dimethyl-5-hexin-3-yl-3-(methylsulfinyl)benzoat [German] [ACD/IUPAC Name]
2,2-Dimethyl-5-hexyn-3-yl 3-(methylsulfinyl)benzoate [ACD/IUPAC Name]
3-(Méthylsulfinyl)benzoate de 2,2-diméthyl-5-hexyn-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3-(methylsulfinyl)-, 1-(1,1-dimethylethyl)-3-butyn-1-yl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 440.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 220.0±24.6 °C
Index of Refraction: 1.558
Molar Refractivity: 81.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.43
ACD/KOC (pH 5.5): 782.90
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.43
ACD/KOC (pH 7.4): 782.90
Polar Surface Area: 63 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 253.2±5.0 cm3

Click to predict properties on the Chemicalize site


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