ChemSpider 2D Image | {[2-(4-Ethoxyphenoxy)ethyl]sulfanyl}acetic acid | C12H16O4S

{[2-(4-Ethoxyphenoxy)ethyl]sulfanyl}acetic acid

  • Molecular FormulaC12H16O4S
  • Average mass256.318 Da
  • Monoisotopic mass256.076935 Da
  • ChemSpider ID25997493

More details:

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

{[2-(4-Ethoxyphenoxy)ethyl]sulfanyl}acetic acid [ACD/IUPAC Name]
{[2-(4-Ethoxyphenoxy)ethyl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2-(4-ethoxyphenoxy)ethyl]thio]- [ACD/Index Name]
Acide {[2-(4-éthoxyphénoxy)éthyl]sulfanyl}acétique [French] [ACD/IUPAC Name]
1097787-95-5 [RN]
2-([2-(4-ETHOXYPHENOXY)ETHYL]SULFANYL)ACETIC ACID
2-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}acetic acid
MFCD11646458 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 433.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 215.6±25.9 °C
Index of Refraction: 1.551
Molar Refractivity: 67.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.79
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 212.1±3.0 cm3

Click to predict properties on the Chemicalize site


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