ChemSpider 2D Image | 5-[3-Carboxy-5-(hydroxymethyl)phenoxy]isophthalic acid | C16H12O8

5-[3-Carboxy-5-(hydroxymethyl)phenoxy]isophthalic acid

  • Molecular FormulaC16H12O8
  • Average mass332.262 Da
  • Monoisotopic mass332.053223 Da
  • ChemSpider ID114875417

More details:

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

1,3-Benzenedicarboxylic acid, 5-[3-carboxy-5-(hydroxymethyl)phenoxy]- [ACD/Index Name]
5-[3-Carboxy-5-(hydroxymethyl)phenoxy]isophthalic acid [ACD/IUPAC Name]
5-[3-Carboxy-5-(hydroxymethyl)phenoxy]isophthalsäure [German] [ACD/IUPAC Name]
Acide 5-[3-carboxy-5-(hydroxyméthyl)phénoxy]isophtalique [French] [ACD/IUPAC Name]
2757082-76-9 [RN]
5-(3-Carboxy-5-(hydroxymethyl)phenoxy)isophthalic acid
5-[3-carboxy-5-(hydroxymethyl)phenoxy]benzene-1,3-dicarboxylic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 677.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 254.9±25.0 °C
Index of Refraction: 1.680
Molar Refractivity: 79.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -2.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 83.1±3.0 dyne/cm
Molar Volume: 211.4±3.0 cm3

Click to predict properties on the Chemicalize site


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