Found 32 results

Search term: MF = 'C_{5}H_{9}Cl_{3}O'
ChemSpider 2D Image | (2S,3S)-1,2,4-Trichloro-3-methoxybutane | C5H9Cl3O

(2S,3S)-1,2,4-Trichloro-3-methoxybutane

  • Molecular FormulaC5H9Cl3O
  • Average mass191.483 Da
  • Monoisotopic mass189.971893 Da
  • ChemSpider ID61642256

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-1,2,4-Trichlor-3-methoxybutan [German] [ACD/IUPAC Name]
(2S,3S)-1,2,4-Trichloro-3-methoxybutane [ACD/IUPAC Name]
(2S,3S)-1,2,4-Trichloro-3-méthoxybutane [French] [ACD/IUPAC Name]
Butane, 1,2,4-trichloro-3-methoxy-, (2S,3S)- [ACD/Index Name]
76465-32-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 228.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.6±3.0 kJ/mol
Flash Point: 87.4±26.0 °C
Index of Refraction: 1.456
Molar Refractivity: 41.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.33
ACD/KOC (pH 5.5): 390.75
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.33
ACD/KOC (pH 7.4): 390.75
Polar Surface Area: 9 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 31.5±3.0 dyne/cm
Molar Volume: 152.3±3.0 cm3

Click to predict properties on the Chemicalize site


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