ChemSpider 2D Image | ALPHA-CHLOROISOCAPROIC ACID | C6H11ClO2

α-CHLOROISOCAPROIC ACID

  • Molecular FormulaC6H11ClO2
  • Average mass150.603 Da
  • Monoisotopic mass150.044754 Da
  • ChemSpider ID25056905

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Chlor-4-methylpentansäure [German] [ACD/IUPAC Name]
(2R)-2-Chloro-4-methylpentanoic acid [ACD/IUPAC Name]
Acide (2R)-2-chloro-4-méthylpentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 2-chloro-4-methyl-, (2R)- [ACD/Index Name]
α-CHLOROISOCAPROIC ACID
(S)-2-Chloro-4-methylvaleric Acid
80919-74-0 [RN]
HRI

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

Density: 1.1±0.1 g/cm3
Boiling Point: 228.0±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 51.2±6.0 kJ/mol
Flash Point: 91.7±19.8 °C
Index of Refraction: 1.451
Molar Refractivity: 36.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 134.3±3.0 cm3

Click to predict properties on the Chemicalize site


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