ChemSpider 2D Image | 5-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-~2~H_29_)Pentadecyl]-1,3-benzenediol | C21H7D29O2

5-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-2H29)Pentadecyl]-1,3-benzenediol

  • Molecular FormulaC21H7D29O2
  • Average mass349.688 Da
  • Monoisotopic mass349.453552 Da
  • ChemSpider ID58780288
  • Non-standard isotope - Non-standard isotope


More details:






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

1,3-Benzenediol, 5-(pentadecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-d29)- [ACD/Index Name]
5-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-2H29)Pentadecyl]-1,3-benzenediol [ACD/IUPAC Name]
5-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-2H29)Pentadécyl]-1,3-benzènediol [French] [ACD/IUPAC Name]
5-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-2H29)Pentadecyl]-1,3-benzoldiol [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: 452.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 195.5±15.0 °C
Index of Refraction: 1.510
Molar Refractivity: 99.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 8.66
ACD/LogD (pH 5.5): 8.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1116905.75
ACD/LogD (pH 7.4): 8.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1109097.13
Polar Surface Area: 40 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 333.7±3.0 cm3

Click to predict properties on the Chemicalize site






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