ChemSpider 2D Image | 7-(3-Thienyl)heptanoic acid | C11H16O2S

7-(3-Thienyl)heptanoic acid

  • Molecular FormulaC11H16O2S
  • Average mass212.309 Da
  • Monoisotopic mass212.087097 Da
  • ChemSpider ID21397383

More details:

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

3-Thiopheneheptanoic acid [ACD/Index Name]
7-(3-Thienyl)heptanoic acid [ACD/IUPAC Name]
7-(3-Thienyl)heptansäure [German] [ACD/IUPAC Name]
Acide 7-(3-thiényl)heptanoïque [French] [ACD/IUPAC Name]
26420-23-5 [RN]
7-(thienyl-3-yl)heptanoic acid
7-(THIOPHEN-3-YL)HEPTANOIC ACID
7-thiophen-3-ylheptanoic acid
97%
MFCD07698781 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 364.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 174.1±23.2 °C
Index of Refraction: 1.536
Molar Refractivity: 58.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 25.38
ACD/KOC (pH 5.5): 208.75
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.35
Polar Surface Area: 66 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 188.9±3.0 cm3

Click to predict properties on the Chemicalize site


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