ChemSpider 2D Image | 2-Butyltetrahydro-2-thiophenecarbaldehyde | C9H16OS

2-Butyltetrahydro-2-thiophenecarbaldehyde

  • Molecular FormulaC9H16OS
  • Average mass172.288 Da
  • Monoisotopic mass172.092178 Da
  • ChemSpider ID61327747

More details:






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

2-Butyltetrahydro-2-thiophencarbaldehyd [German] [ACD/IUPAC Name]
2-Butyltetrahydro-2-thiophenecarbaldehyde [ACD/IUPAC Name]
2-Butyltétrahydro-2-thiophènecarbaldéhyde [French] [ACD/IUPAC Name]
2-Thiophenecarboxaldehyde, 2-butyltetrahydro- [ACD/Index Name]
1936702-12-3 [RN]
2-butylthiolane-2-carbaldehyde

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

Density: 1.1±0.1 g/cm3
Boiling Point: 252.6±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.0±3.0 kJ/mol
Flash Point: 109.7±11.1 °C
Index of Refraction: 1.544
Molar Refractivity: 51.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.97
ACD/KOC (pH 5.5): 871.66
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.97
ACD/KOC (pH 7.4): 871.66
Polar Surface Area: 42 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 163.8±3.0 cm3

Click to predict properties on the Chemicalize site






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