ChemSpider 2D Image | (2S)-2-Methyloctanal | C9H18O

(2S)-2-Methyloctanal

  • Molecular FormulaC9H18O
  • Average mass142.239 Da
  • Monoisotopic mass142.135757 Da
  • ChemSpider ID32787021
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-Methyloctanal [German] [ACD/IUPAC Name]
(2S)-2-Methyloctanal [ACD/IUPAC Name]
(2S)-2-Méthyloctanal [French] [ACD/IUPAC Name]
Octanal, 2-methyl-, (2S)- [ACD/Index Name]
232-093-0 [EINECS]
2-Methyloctanal [ACD/IUPAC Name]
55352-42-6 [RN]
7786-29-0 [RN]
MFCD24673874
UNII-L193398KLN

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.8±0.1 g/cm3
Boiling Point: 183.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.0±3.0 kJ/mol
Flash Point: 58.9±5.4 °C
Index of Refraction: 1.416
Molar Refractivity: 43.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 234.61
ACD/KOC (pH 5.5): 1731.04
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 234.61
ACD/KOC (pH 7.4): 1731.04
Polar Surface Area: 17 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 26.5±3.0 dyne/cm
Molar Volume: 174.8±3.0 cm3

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