ChemSpider 2D Image | Heptanedioic-2,2,6,6-d4 Acid | C7H8D4O4

Heptanedioic-2,2,6,6-d4 Acid

  • Molecular FormulaC7H8D4O4
  • Average mass164.192 Da
  • Monoisotopic mass164.098663 Da
  • ChemSpider ID24532591

  • Non-standard isotope - Non-standard isotope

More details:

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

(2,2,6,6-2H4)Heptandisäure [German] [ACD/IUPAC Name]
(2,2,6,6-2H4)Heptanedioic acid [ACD/IUPAC Name]
19031-56-2 [RN]
Acide (2,2,6,6-2H4)heptanedioïque [French] [ACD/IUPAC Name]
Heptanedioic-2,2,6,6-d4 acid [ACD/Index Name]
Heptanedioic-2,2,6,6-d4 Acid
1,5-Pentanedicarboxylic acid
HEPTANE-1,7-DIOIC 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: 353.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 65.8±6.0 kJ/mol
Flash Point: 181.9±19.7 °C
Index of Refraction: 1.476
Molar Refractivity: 37.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.03
ACD/LogD (pH 7.4): -4.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 133.3±3.0 cm3

Click to predict properties on the Chemicalize site


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