ChemSpider 2D Image | (2R,3S)-2-Ethyl-3-hydroxyhexanal | C8H16O2

(2R,3S)-2-Ethyl-3-hydroxyhexanal

  • Molecular FormulaC8H16O2
  • Average mass144.211 Da
  • Monoisotopic mass144.115036 Da
  • ChemSpider ID34991724

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-2-Ethyl-3-hydroxyhexanal [German] [ACD/IUPAC Name]
(2R,3S)-2-Ethyl-3-hydroxyhexanal [ACD/IUPAC Name]
(2R,3S)-2-Éthyl-3-hydroxyhexanal [French] [ACD/IUPAC Name]
Hexanal, 2-ethyl-3-hydroxy-, (2R,3S)- [ACD/Index Name]
126958-36-9 [RN]
207-812-6 [EINECS]
2-Ethyl-3-hydroxyhexanal [ACD/IUPAC Name]
2-ETHYL-3-HYDROXYHEXANAL, (2R,3S)-REL-
496-03-7 [RN]
UNII-JVT6LVK65O

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

UNII-Y0QE133WBG [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 216.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.7±6.0 kJ/mol
Flash Point: 86.7±15.2 °C
Index of Refraction: 1.435
Molar Refractivity: 40.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.46
ACD/KOC (pH 5.5): 146.65
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.46
ACD/KOC (pH 7.4): 146.65
Polar Surface Area: 37 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 31.8±3.0 dyne/cm
Molar Volume: 156.2±3.0 cm3

Click to predict properties on the Chemicalize site


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