ChemSpider 2D Image | 25,26,27,28-Tetrapropoxy-2,8,14,20-tetrathiapentacyclo[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-4,16-dicarbaldehyde | C38H40O6S4

25,26,27,28-Tetrapropoxy-2,8,14,20-tetrathiapentacyclo[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-4,16-dicarbaldehyde

  • Molecular FormulaC38H40O6S4
  • Average mass720.981 Da
  • Monoisotopic mass720.170776 Da
  • ChemSpider ID30658965

More details:

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

2,8,14,20-Tetrathiapentacyclo[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-4,16-dicarboxaldehyde, 25,26,27,28-tetrapropoxy- [ACD/Index Name]
25,26,27,28-Tetrapropoxy-2,8,14,20-tetrathiapentacyclo[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-4,16-dicarbaldehyd [German] [ACD/IUPAC Name]
25,26,27,28-Tetrapropoxy-2,8,14,20-tetrathiapentacyclo[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-4,16-dicarbaldehyde [ACD/IUPAC Name]
25,26,27,28-Tétrapropoxy-2,8,14,20-tétrathiapentacyclo[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-4,16-dicarbaldéhyde [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 832.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 425.6±22.3 °C
Index of Refraction: 1.635
Molar Refractivity: 208.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 11.92
ACD/LogD (pH 5.5): 9.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4116568.25
ACD/LogD (pH 7.4): 9.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4116568.25
Polar Surface Area: 172 Å2
Polarizability: 82.6±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 581.4±3.0 cm3

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