ChemSpider 2D Image | 3-(Methylthio)heptanal | C8H16OS

3-(Methylthio)heptanal

  • Molecular FormulaC8H16OS
  • Average mass160.277 Da
  • Monoisotopic mass160.092178 Da
  • ChemSpider ID21105965

More details:






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

3-(Methylsulfanyl)heptanal [ACD/IUPAC Name]
3-(Methylsulfanyl)heptanal [German] [ACD/IUPAC Name]
3-(Méthylsulfanyl)heptanal [French] [ACD/IUPAC Name]
3-(Methylthio)heptanal
51755-70-5 [RN]
Heptanal, 3-(methylthio)- [ACD/Index Name]
VH1Y4&S1 [WLN]
(?)-3-(methyl thio) heptanal
(±)-3-(METHYLTHIO)HEPTANAL
3-(Methylsulfanyl)nonanal [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

34IN72430S [DBID]
UNII:34IN72430S [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 226.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.3±3.0 kJ/mol
Flash Point: 88.3±8.3 °C
Index of Refraction: 1.461
Molar Refractivity: 47.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.22
ACD/KOC (pH 5.5): 684.79
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 64.22
ACD/KOC (pH 7.4): 684.79
Polar Surface Area: 42 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 31.3±3.0 dyne/cm
Molar Volume: 172.3±3.0 cm3

Click to predict properties on the Chemicalize site






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