ChemSpider 2D Image | 6,7,9,10,12,13,20,21,23,24,26,27-Dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine-2,16-dicarboxylic acid | C26H32O12

6,7,9,10,12,13,20,21,23,24,26,27-Dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine-2,16-dicarboxylic acid

  • Molecular FormulaC26H32O12
  • Average mass536.525 Da
  • Monoisotopic mass536.189392 Da
  • ChemSpider ID3765742

More details:

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

6,7,9,10,12,13,20,21,23,24,26,27-Dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin-2,16-dicarbonsäure [German] [ACD/IUPAC Name]
6,7,9,10,12,13,20,21,23,24,26,27-Dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine-2,16-dicarboxylic acid [ACD/IUPAC Name]
Acide 6,7,9,10,12,13,20,21,23,24,26,27-dodécahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotétracosine-2,16-dicarboxylique [French] [ACD/IUPAC Name]
Dibenz[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin-2,16-dicarboxylic acid, 6,7,9,10,12,13,20,21,23,24,26,27-dodecahydro- [ACD/Index Name]
5,6,7,8,9,10,11,12,13,14,19,20,21,22,23,24,25,26,27,28-icosahydrodibenzo[a,m][ 24]annulene-2,16-dicarboxylic acid
5,6,7,8,9,10,11,12,13,14,19,20,21,22,23,24,25,26,27,28-icosahydrodibenzo[a,m][24]annulene-2,16-dicarboxylic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 743.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 245.5±26.4 °C
Index of Refraction: 1.510
Molar Refractivity: 131.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.64
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 438.8±3.0 cm3

Click to predict properties on the Chemicalize site


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