ChemSpider 2D Image | 3-Nitrobenzyl (2-pentadecyl-1,3-dioxolan-2-yl)acetate | C27H43NO6

3-Nitrobenzyl (2-pentadecyl-1,3-dioxolan-2-yl)acetate

  • Molecular FormulaC27H43NO6
  • Average mass477.633 Da
  • Monoisotopic mass477.309052 Da
  • ChemSpider ID24604382

More details:

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

(2-Pentadécyl-1,3-dioxolan-2-yl)acétate de 3-nitrobenzyle [French] [ACD/IUPAC Name]
1,3-Dioxolane-2-acetic acid, 2-pentadecyl-, (3-nitrophenyl)methyl ester [ACD/Index Name]
3-Nitrobenzyl (2-pentadecyl-1,3-dioxolan-2-yl)acetate [ACD/IUPAC Name]
3-Nitrobenzyl-(2-pentadecyl-1,3-dioxolan-2-yl)acetat [German] [ACD/IUPAC Name]
3-Nitrobenzyl 2-(2-pentadecyl-1,3-dioxolan-2-yl)acetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 567.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 180.6±27.9 °C
Index of Refraction: 1.502
Molar Refractivity: 133.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 9.07
ACD/LogD (pH 5.5): 9.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1944032.13
ACD/LogD (pH 7.4): 9.03
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1944032.13
Polar Surface Area: 91 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 451.5±3.0 cm3

Click to predict properties on the Chemicalize site


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