ChemSpider 2D Image | ALLYL THIOHEXANOATE | C9H16OS

ALLYL THIOHEXANOATE

  • Molecular FormulaC9H16OS
  • Average mass172.288 Da
  • Monoisotopic mass172.092178 Da
  • ChemSpider ID23349939

More details:






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

156420-69-8 [RN]
ALLYL THIOHEXANOATE
Hexanethioate de S-allyle [French] [ACD/IUPAC Name]
Hexanethioic acid, S-2-propen-1-yl ester [ACD/Index Name]
S-2-Propen-1-yl hexanethioate
S-Allyl hexanethioate [ACD/IUPAC Name]
S-Allyl-hexanthioat [German] [ACD/IUPAC Name]
1-(prop-2-en-1-ylsulfanyl)hexan-1-one

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

8KK7J07P1Z [DBID]
UNII:8KK7J07P1Z [DBID]
UNII-8KK7J07P1Z [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 215.7±19.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.2±3.0 kJ/mol
Flash Point: 73.8±15.0 °C
Index of Refraction: 1.474
Molar Refractivity: 51.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 578.93
ACD/KOC (pH 5.5): 3304.38
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 578.93
ACD/KOC (pH 7.4): 3304.38
Polar Surface Area: 42 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 183.3±3.0 cm3

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