ChemSpider 2D Image | beta-decafluoro-meso-decamethylcalix[5]pyrrole | C35H35F10N5

β-decafluoro-meso-decamethylcalix[5]pyrrole

  • Molecular FormulaC35H35F10N5
  • Average mass715.670 Da
  • Monoisotopic mass715.273254 Da
  • ChemSpider ID4422207

More details:

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

26,27,28,29,30-Pentaazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-3,5,8,10,13,15,18,20,23,25-decaene, 4,5,9,10,14,15,19,20,24,25-decafluoro-2,2,7,7,12,12,17,17,22,22-decamethyl- [ACD/Index Name]
4,5,9,10,14,15,19,20,24,25-Decafluor-2,2,7,7,12,12,17,17,22,22-decamethyl-26,27,28,29,30-pentaazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaen [German] [ACD/IUPAC Name]
4,5,9,10,14,15,19,20,24,25-Decafluoro-2,2,7,7,12,12,17,17,22,22-decamethyl-26,27,28,29,30-pentaazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene [ACD/IUPAC Name]
4,5,9,10,14,15,19,20,24,25-Décafluoro-2,2,7,7,12,12,17,17,22,22-décaméthyl-26,27,28,29,30-pentaazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-décaène [French] [ACD/IUPAC Name]
β-decafluoro-meso-decamethylcalix[5]pyrrole
4,5,9,10,14,15,19,20,24,25-decafluoro-2,2,7,7,12,12,17,17,22,22-decamethyl-26,27,28,29,30-pentaazahexacyclo[21.2.1.1(3,6).18,11.1(13,16).1(18,21)]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene
8891320 [Beilstein]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 687.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 369.3±31.5 °C
Index of Refraction: 1.521
Molar Refractivity: 164.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 8.29
ACD/LogD (pH 5.5): 8.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 758847.69
ACD/LogD (pH 7.4): 8.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 758847.69
Polar Surface Area: 79 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 540.9±3.0 cm3

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