Found 46 results

Search term: MF = 'C_{20}H_{28}O_{2}S'
ChemSpider 2D Image | 4-(Benzyloxy)-5-methyl-5-octyl-2(5H)-thiophenone | C20H28O2S

4-(Benzyloxy)-5-methyl-5-octyl-2(5H)-thiophenone

  • Molecular FormulaC20H28O2S
  • Average mass332.500 Da
  • Monoisotopic mass332.181000 Da
  • ChemSpider ID28590786

More details:

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

2(5H)-Thiophenone, 5-methyl-5-octyl-4-(phenylmethoxy)- [ACD/Index Name]
4-(Benzyloxy)-5-methyl-5-octyl-2(5H)-thiophenon [German] [ACD/IUPAC Name]
4-(Benzyloxy)-5-methyl-5-octyl-2(5H)-thiophenone [ACD/IUPAC Name]
4-(Benzyloxy)-5-méthyl-5-octyl-2(5H)-thiophénone [French] [ACD/IUPAC Name]
4-(Benzyloxy)-5-methyl-5-octylthiophen-2(5H)-one
4-(BENZYLOXY)-5-METHYL-5-OCTYLTHIOPHEN-2-ONE
646517-75-1 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 478.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 229.6±16.7 °C
Index of Refraction: 1.550
Molar Refractivity: 99.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 6.92
ACD/BCF (pH 5.5): 106325.77
ACD/KOC (pH 5.5): 137926.13
ACD/LogD (pH 7.4): 6.92
ACD/BCF (pH 7.4): 106325.77
ACD/KOC (pH 7.4): 137926.13
Polar Surface Area: 52 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 311.1±5.0 cm3

Click to predict properties on the Chemicalize site


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