ChemSpider 2D Image | (9E,15E,17E,19E,21E,29E,41E,45E,49E,51E,53E,55E,61E)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-Cyclohexahexacontatritriacontaene | C66H66

(9E,15E,17E,19E,21E,29E,41E,45E,49E,51E,53E,55E,61E)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-Cyclohexahexacontatritriacontaene

  • Molecular FormulaC66H66
  • Average mass859.230 Da
  • Monoisotopic mass858.516479 Da
  • ChemSpider ID29318663

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E,15E,17E,19E,21E,29E,41E,45E,49E,51E,53E,55E,61E)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-Cyclohexahexacontatritriacontaen [German] [ACD/IUPAC Name]
(9E,15E,17E,19E,21E,29E,41E,45E,49E,51E,53E,55E,61E)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-Cyclohexahexacontatritriacontaene [ACD/IUPAC Name]
(9E,15E,17E,19E,21E,29E,41E,45E,49E,51E,53E,55E,61E)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-Cyclohexahexacontatritriacontaène [French] [ACD/IUPAC Name]
1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-Cyclohexahexacontatritriacontaene, (9E,15E,17E,19E,21E,29E,41E,45E,49E,51E,53E,55E,61E)- [ACD/Index Name]
[66]annulene

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

Density: 0.9±0.1 g/cm3
Boiling Point: 1383.5±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 204.8±0.8 kJ/mol
Flash Point: 844.0±13.7 °C
Index of Refraction: 1.414
Molar Refractivity: 245.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 24.40
ACD/LogD (pH 5.5): 20.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 97.4±0.5 10-24cm3
Surface Tension: 28.9±3.0 dyne/cm
Molar Volume: 983.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement