ChemSpider 2D Image | 4,6,10,12,16,18,22,24,25,26,27,28-dodecamethylcalix[4]arene | C40H48

4,6,10,12,16,18,22,24,25,26,27,28-dodecamethylcalix[4]arene

  • Molecular FormulaC40H48
  • Average mass528.809 Da
  • Monoisotopic mass528.375610 Da
  • ChemSpider ID10347872

More details:

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

17623-16-4 [RN]
4,6,10,12,16,18,22,24,25,26,27,28-dodecamethylcalix[4]arene
4,6,10,12,16,18,22,24,25,26,27,28-Dodecamethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen [German] [ACD/IUPAC Name]
4,6,10,12,16,18,22,24,25,26,27,28-Dodecamethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene [ACD/IUPAC Name]
4,6,10,12,16,18,22,24,25,26,27,28-Dodécaméthylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodécaène [French] [ACD/IUPAC Name]
4,6,10,12,16,18,22,24,25,26,27,28-Dodecamethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene, 4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl- [ACD/Index Name]
2550536 [Beilstein]
4,6,10,12,16,18,22,24,25,26,27,28-dodecamethylpentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene
4,6,10,12,16,18,22,24,25,26,27,28-dodecamethylpentacyclo[19.3.1.13,?.1?,13.11?,1?]octacosa-1(25),3,5,7(28),9,11,13(27),15(26),16,18,21,23-dodecaene

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

Density: 1.0±0.1 g/cm3
Boiling Point: 669.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 94.8±0.8 kJ/mol
Flash Point: 366.2±24.2 °C
Index of Refraction: 1.577
Molar Refractivity: 174.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 13.84
ACD/LogD (pH 5.5): 11.97
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.97
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 527.4±3.0 cm3

Click to predict properties on the Chemicalize site


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