Found 1905 results

Search term: MF = 'C_{16}H_{20}O_{3}S'
ChemSpider 2D Image | Methyl 4-(1-octyn-1-ylsulfinyl)benzoate | C16H20O3S

Methyl 4-(1-octyn-1-ylsulfinyl)benzoate

  • Molecular FormulaC16H20O3S
  • Average mass292.393 Da
  • Monoisotopic mass292.113312 Da
  • ChemSpider ID28590106

More details:

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

4-(1-Octyn-1-ylsulfinyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(1-octyn-1-ylsulfinyl)-, methyl ester [ACD/Index Name]
Methyl 4-(1-octyn-1-ylsulfinyl)benzoate [ACD/IUPAC Name]
Methyl-4-(1-octin-1-ylsulfinyl)benzoat [German] [ACD/IUPAC Name]
648436-56-0 [RN]
BENZOIC ACID, 4-(1-OCTYNYLSULFINYL)-, METHYL ESTER
Methyl 4-(oct-1-yn-1-ylsulfinyl)benzoate
METHYL 4-(OCT-1-YNE-1-SULFINYL)BENZOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 436.0±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 217.5±29.3 °C
Index of Refraction: 1.567
Molar Refractivity: 81.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1478.18
ACD/KOC (pH 5.5): 6463.81
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1478.18
ACD/KOC (pH 7.4): 6463.81
Polar Surface Area: 63 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 250.5±5.0 cm3

Click to predict properties on the Chemicalize site


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