ChemSpider 2D Image | 3-(4-{2-[4-(3,4-Dicarboxyphenoxy)phenyl]-2-propanyl}phenoxy)phthalic acid | C31H24O10

3-(4-{2-[4-(3,4-Dicarboxyphenoxy)phenyl]-2-propanyl}phenoxy)phthalic acid

  • Molecular FormulaC31H24O10
  • Average mass556.516 Da
  • Monoisotopic mass556.136963 Da
  • ChemSpider ID2342514

More details:

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

1,2-Benzenedicarboxylic acid, 3-[4-[1-[4-(3,4-dicarboxyphenoxy)phenyl]-1-methylethyl]phenoxy]- [ACD/Index Name]
3-(4-{2-[4-(3,4-Dicarboxyphenoxy)phenyl]-2-propanyl}phenoxy)phthalic acid [ACD/IUPAC Name]
3-(4-{2-[4-(3,4-Dicarboxyphenoxy)phenyl]-2-propanyl}phenoxy)phthalsäure [German] [ACD/IUPAC Name]
3-(4-{2-[4-(3,4-Dicarboxyphenoxy)phenyl]propan-2-yl}phenoxy)phthalic acid
3-[4-[1-[4-(3,4-Dicarboxyphenoxy)phenyl]-1-methylethyl]phenoxy]-1,2-benzenedicarboxylic acid
72066-79-6 [RN]
Acide 3-(4-{2-[4-(3,4-dicarboxyphénoxy)phényl]-2-propanyl}phénoxy)phtalique [French] [ACD/IUPAC Name]
1,2-BENZENEDICARBOXYLIC ACID 3-[4-[1-[4-(3,4-DICARBOXYPHENOXY)PHENYL]-1-METHYLETHYL]PHENOXY]-
1,2-Benzenedicarboxylic acid, 3-(4-(1-(4-(3,4-dicarboxyphenoxy)phenyl)-1-methylethyl)phenoxy)-
1,2-Benzenedicarboxylicacid, 3-[4-[1-[4-(3,4-dicarboxyphenoxy)phenyl]-1-methylethyl]phenoxy]-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 753.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 247.0±26.4 °C
Index of Refraction: 1.657
Molar Refractivity: 145.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 394.0±3.0 cm3

Click to predict properties on the Chemicalize site


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