ChemSpider 2D Image | MFCD00145082 | C5HD9O2

MFCD00145082

  • Molecular FormulaC5HD9O2
  • Average mass111.187 Da
  • Monoisotopic mass111.124573 Da
  • ChemSpider ID24532833

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H9)Pentanoic acid [ACD/IUPAC Name]
(2H9)Pentansäure [German] [ACD/IUPAC Name]
115871-50-6 [RN]
Acide (2H9)pentanoïque [French] [ACD/IUPAC Name]
MFCD00145082
Pentanoic Acid-d9
Pentanoic-d9 acid [ACD/Index Name]
Pentanoic-d9 Acid
Valeric-d9 acid
Butane Carboxylic Acid
More...

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

BRN 0969454 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 185.3±3.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.6±3.0 kJ/mol
Flash Point: 88.9±0.0 °C
Index of Refraction: 1.421
Molar Refractivity: 26.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.62
ACD/LogD (pH 7.4): -1.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 32.8±3.0 dyne/cm
Molar Volume: 105.7±3.0 cm3

Click to predict properties on the Chemicalize site


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