ChemSpider 2D Image | (1R,2S)-2-[4-(2-Methyl-2-propanyl)phenoxy]cyclohexyl 2-propyn-1-yl sulfite | C19H26O4S

(1R,2S)-2-[4-(2-Methyl-2-propanyl)phenoxy]cyclohexyl 2-propyn-1-yl sulfite

  • Molecular FormulaC19H26O4S
  • Average mass350.472 Da
  • Monoisotopic mass350.155182 Da
  • ChemSpider ID32787029

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1R,2S)-2-[4-(2-Methyl-2-propanyl)phenoxy]cyclohexyl 2-propyn-1-yl sulfite [ACD/IUPAC Name]
(1R,2S)-2-[4-(2-Methyl-2-propanyl)phenoxy]cyclohexyl-2-propin-1-ylsulfit [German] [ACD/IUPAC Name]
Sulfite de (1R,2S)-2-[4-(2-méthyl-2-propanyl)phénoxy]cyclohexyle et de 2-propyn-1-yle [French] [ACD/IUPAC Name]
Sulfurous acid, (1R,2S)-2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propyn-1-yl ester [ACD/Index Name]
219-006-1 [EINECS]
2312-35-8 [RN]
Propargite [ISO]
UNII-30M429ANKL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 450.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 226.4±28.7 °C
Index of Refraction: 1.561
Molar Refractivity: 96.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1141.50
ACD/KOC (pH 5.5): 5372.06
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1141.50
ACD/KOC (pH 7.4): 5372.06
Polar Surface Area: 64 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 298.9±5.0 cm3

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