ChemSpider 2D Image | 8-[1-(3-Hydroxypropyl)-1H-1,2,3-triazol-5-yl]octyl (2E)-3-(3,4-diacetoxyphenyl)acrylate | C26H35N3O7

8-[1-(3-Hydroxypropyl)-1H-1,2,3-triazol-5-yl]octyl (2E)-3-(3,4-diacetoxyphenyl)acrylate

  • Molecular FormulaC26H35N3O7
  • Average mass501.572 Da
  • Monoisotopic mass501.247498 Da
  • ChemSpider ID58982302

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3,4-Diacétoxyphényl)acrylate de 8-[1-(3-hydroxypropyl)-1H-1,2,3-triazol-5-yl]octyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[3,4-bis(acetyloxy)phenyl]-, 8-[1-(3-hydroxypropyl)-1H-1,2,3-triazol-5-yl]octyl ester, (2E)- [ACD/Index Name]
8-[1-(3-Hydroxypropyl)-1H-1,2,3-triazol-5-yl]octyl (2E)-3-(3,4-diacetoxyphenyl)acrylate [ACD/IUPAC Name]
8-[1-(3-Hydroxypropyl)-1H-1,2,3-triazol-5-yl]octyl-(2E)-3-(3,4-diacetoxyphenyl)acrylat [German] [ACD/IUPAC 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: 678.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 364.1±34.3 °C
Index of Refraction: 1.553
Molar Refractivity: 134.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.53
ACD/KOC (pH 5.5): 1068.21
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.55
ACD/KOC (pH 7.4): 1068.38
Polar Surface Area: 130 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 420.7±7.0 cm3

Click to predict properties on the Chemicalize site


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