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Search term: MNQRSRRISUUYTQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-2-Butanyl 4-chlorobutanoate | C8H15ClO2

(2S)-2-Butanyl 4-chlorobutanoate

  • Molecular FormulaC8H15ClO2
  • Average mass178.656 Da
  • Monoisotopic mass178.076050 Da
  • ChemSpider ID75146642

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Butanyl 4-chlorobutanoate [ACD/IUPAC Name]
(2S)-2-Butanyl-4-chlorbutanoat [German] [ACD/IUPAC Name]
4-Chlorobutanoate de (2S)-2-butanyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-chloro-, (1S)-1-methylpropyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 212.0±13.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.8±3.0 kJ/mol
Flash Point: 85.6±15.3 °C
Index of Refraction: 1.433
Molar Refractivity: 45.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 82.94
ACD/KOC (pH 5.5): 822.35
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 82.94
ACD/KOC (pH 7.4): 822.35
Polar Surface Area: 26 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 29.8±3.0 dyne/cm
Molar Volume: 175.8±3.0 cm3

Click to predict properties on the Chemicalize site


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