ChemSpider 2D Image | 4-[(3E,6E,9E,12E)-3,6,9,12-Pentadecatetraen-1-ylsulfanyl]butanoic acid | C19H30O2S

4-[(3E,6E,9E,12E)-3,6,9,12-Pentadecatetraen-1-ylsulfanyl]butanoic acid

  • Molecular FormulaC19H30O2S
  • Average mass322.505 Da
  • Monoisotopic mass322.196655 Da
  • ChemSpider ID24714193

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(3E,6E,9E,12E)-3,6,9,12-Pentadecatetraen-1-ylsulfanyl]butanoic acid [ACD/IUPAC Name]
4-[(3E,6E,9E,12E)-3,6,9,12-Pentadecatetraen-1-ylsulfanyl]butansäure [German] [ACD/IUPAC Name]
Acide 4-[(3E,6E,9E,12E)-3,6,9,12-pentadécatétraén-1-ylsulfanyl]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(3E,6E,9E,12E)-3,6,9,12-pentadecatetraen-1-ylthio]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL510672/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 470.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.4±6.0 kJ/mol
Flash Point: 238.6±28.7 °C
Index of Refraction: 1.526
Molar Refractivity: 99.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 2054.19
ACD/KOC (pH 5.5): 4542.77
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 32.39
ACD/KOC (pH 7.4): 71.63
Polar Surface Area: 63 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 325.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement