ChemSpider 2D Image | sec-Butyl (7Z)-14-{[(4-methylphenyl)sulfonyl]oxy}-7-tetradecenoate | C25H40O5S

sec-Butyl (7Z)-14-{[(4-methylphenyl)sulfonyl]oxy}-7-tetradecenoate

  • Molecular FormulaC25H40O5S
  • Average mass452.647 Da
  • Monoisotopic mass452.259644 Da
  • ChemSpider ID110788539

  • Double-bond stereo - Double-bond stereo

More details:

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

(7Z)-14-{[(4-Méthylphényl)sulfonyl]oxy}-7-tétradécénoate de sec-butyle [French] [ACD/IUPAC Name]
7-Tetradecenoic acid, 14-[[(4-methylphenyl)sulfonyl]oxy]-, 1-methylpropyl ester, (7Z)- [ACD/Index Name]
sec-Butyl (7Z)-14-{[(4-methylphenyl)sulfonyl]oxy}-7-tetradecenoate [ACD/IUPAC Name]
sec-Butyl-(7Z)-14-{[(4-methylphenyl)sulfonyl]oxy}-7-tetradecenoat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 551.9±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.6±28.2 °C
Index of Refraction: 1.500
Molar Refractivity: 127.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 7.46
ACD/LogD (pH 5.5): 6.71
ACD/BCF (pH 5.5): 73608.77
ACD/KOC (pH 5.5): 106005.55
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 73608.77
ACD/KOC (pH 7.4): 106005.55
Polar Surface Area: 78 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 431.9±3.0 cm3

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