ChemSpider 2D Image | 3,5-Dimethyl-4-propoxybenzenethiol | C11H16OS

3,5-Dimethyl-4-propoxybenzenethiol

  • Molecular FormulaC11H16OS
  • Average mass196.309 Da
  • Monoisotopic mass196.092178 Da
  • ChemSpider ID35330010

More details:

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

3,5-Dimethyl-4-propoxybenzenethiol [ACD/IUPAC Name]
3,5-Diméthyl-4-propoxybenzènethiol [French] [ACD/IUPAC Name]
3,5-Dimethyl-4-propoxybenzolthiol [German] [ACD/IUPAC Name]
Benzenethiol, 3,5-dimethyl-4-propoxy- [ACD/Index Name]
1379207-30-3 [RN]
4-n-Propoxy-3,5-dimethylthiophenol
atoms 13 bonds 13
MFCD16657560

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

Density: 1.0±0.1 g/cm3
Boiling Point: 292.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.1±3.0 kJ/mol
Flash Point: 130.6±25.9 °C
Index of Refraction: 1.539
Molar Refractivity: 60.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 481.82
ACD/KOC (pH 5.5): 2871.45
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 139.99
ACD/KOC (pH 7.4): 834.31
Polar Surface Area: 48 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 191.6±3.0 cm3

Click to predict properties on the Chemicalize site


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