ChemSpider 2D Image | (1E)-2-Iodo-1-(4-methoxyphenyl)-5-{[(4-methylphenyl)sulfonyl]oxy}-1-penten-1-yl acetate | C21H23IO6S

(1E)-2-Iodo-1-(4-methoxyphenyl)-5-{[(4-methylphenyl)sulfonyl]oxy}-1-penten-1-yl acetate

  • Molecular FormulaC21H23IO6S
  • Average mass530.373 Da
  • Monoisotopic mass530.026001 Da
  • ChemSpider ID30659425

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E)-2-Iod-1-(4-methoxyphenyl)-5-{[(4-methylphenyl)sulfonyl]oxy}-1-penten-1-yl-acetat [German] [ACD/IUPAC Name]
(1E)-2-Iodo-1-(4-methoxyphenyl)-5-{[(4-methylphenyl)sulfonyl]oxy}-1-penten-1-yl acetate [ACD/IUPAC Name]
1-Pentene-1,5-diol, 2-iodo-1-(4-methoxyphenyl)-, 1-acetate 5-(4-methylbenzenesulfonate), (1E)- [ACD/Index Name]
Acétate de (1E)-2-iodo-1-(4-méthoxyphényl)-5-{[(4-méthylphényl)sulfonyl]oxy}-1-pentén-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 609.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.6±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 119.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3173.31
ACD/KOC (pH 5.5): 11168.05
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3173.31
ACD/KOC (pH 7.4): 11168.05
Polar Surface Area: 87 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 354.7±3.0 cm3

Click to predict properties on the Chemicalize site


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