Found 43 results

Search term: MF = 'C_{17}H_{30}O_{3}S'
ChemSpider 2D Image | (9E,11E)-12-(Pentylsulfinyl)-9,11-dodecadienoic acid | C17H30O3S

(9E,11E)-12-(Pentylsulfinyl)-9,11-dodecadienoic acid

  • Molecular FormulaC17H30O3S
  • Average mass314.483 Da
  • Monoisotopic mass314.191559 Da
  • ChemSpider ID57494306

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E,11E)-12-(Pentylsulfinyl)-9,11-dodecadienoic acid [ACD/IUPAC Name]
(9E,11E)-12-(Pentylsulfinyl)-9,11-dodecadiensäure [German] [ACD/IUPAC Name]
9,11-Dodecadienoic acid, 12-(pentylsulfinyl)-, (9E,11E)- [ACD/Index Name]
Acide (9E,11E)-12-(pentylsulfinyl)-9,11-dodécadiénoïque [French] [ACD/IUPAC Name]
12-(PENTANE-1-SULFINYL)DODECA-9,11-DIENOIC ACID

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

Density: 1.0±0.1 g/cm3
Boiling Point: 481.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 81.8±6.0 kJ/mol
Flash Point: 245.2±23.7 °C
Index of Refraction: 1.520
Molar Refractivity: 91.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 379.08
ACD/KOC (pH 5.5): 1446.64
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 6.08
ACD/KOC (pH 7.4): 23.19
Polar Surface Area: 74 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 300.5±3.0 cm3

Click to predict properties on the Chemicalize site


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