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Search term: MF = 'C_{13}H_{26}O_{2}S'
ChemSpider 2D Image | Butyl (2-heptanylsulfanyl)acetate | C13H26O2S

Butyl (2-heptanylsulfanyl)acetate

  • Molecular FormulaC13H26O2S
  • Average mass246.409 Da
  • Monoisotopic mass246.165344 Da
  • ChemSpider ID28589838

More details:

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

(2-Heptanylsulfanyl)acétate de butyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[(1-methylhexyl)thio]-, butyl ester [ACD/Index Name]
Butyl (2-heptanylsulfanyl)acetate [ACD/IUPAC Name]
Butyl-(2-heptanylsulfanyl)acetat [German] [ACD/IUPAC Name]
499987-73-4 [RN]
ACETIC ACID, [(1-METHYLHEXYL)THIO]-, BUTYL ESTER
Butyl [(heptan-2-yl)sulfanyl]acetate
BUTYL 2-(HEPTAN-2-YLSULFANYL)ACETATE

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

Density: 0.9±0.1 g/cm3
Boiling Point: 310.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.1±3.0 kJ/mol
Flash Point: 128.9±11.2 °C
Index of Refraction: 1.464
Molar Refractivity: 72.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6407.78
ACD/KOC (pH 5.5): 18468.55
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6407.78
ACD/KOC (pH 7.4): 18468.55
Polar Surface Area: 52 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 32.3±3.0 dyne/cm
Molar Volume: 261.0±3.0 cm3

Click to predict properties on the Chemicalize site


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