Found 3 results

Search term: CXJOEMLCEGZVPL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-(Isopropoxycarbonyl)(~2~H_4_)benzoic acid | C11H8D4O4

2-(Isopropoxycarbonyl)(2H4)benzoic acid

  • Molecular FormulaC11H8D4O4
  • Average mass212.235 Da
  • Monoisotopic mass212.098663 Da
  • ChemSpider ID30773438

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Benzene-d4-dicarboxylic acid, mono(1-methylethyl) ester [ACD/Index Name]
2-(Isopropoxycarbonyl)(2H4)benzoesäure [German] [ACD/IUPAC Name]
2-(Isopropoxycarbonyl)(2H4)benzoic acid [ACD/IUPAC Name]
Acide 2-(isopropoxycarbonyl)(2H4)benzoïque [French] [ACD/IUPAC Name]
iso-Propyl hydrogen phthalate
mono-iso-Propyl Phthalate-3,4,5,6-d4
Phthalic acid mono-iso-propyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 343.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 133.1±16.7 °C
Index of Refraction: 1.538
Molar Refractivity: 54.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.47
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 173.2±3.0 cm3

Click to predict properties on the Chemicalize site


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