ChemSpider 2D Image | Methyl 2-[2-(2,5-dimethyl-3-thienyl)acetoxy]-4-methylpentanoate | C15H22O4S

Methyl 2-[2-(2,5-dimethyl-3-thienyl)acetoxy]-4-methylpentanoate

  • Molecular FormulaC15H22O4S
  • Average mass298.398 Da
  • Monoisotopic mass298.123871 Da
  • ChemSpider ID30274921

More details:

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

2-[2-(2,5-Diméthyl-3-thiényl)acétoxy]-4-méthylpentanoate de méthyle [French] [ACD/IUPAC Name]
3-Thiopheneacetic acid, 2,5-dimethyl-, 1-(methoxycarbonyl)-3-methylbutyl ester [ACD/Index Name]
Methyl 2-[2-(2,5-dimethyl-3-thienyl)acetoxy]-4-methylpentanoate [ACD/IUPAC Name]
Methyl-2-[2-(2,5-dimethyl-3-thienyl)acetoxy]-4-methylpentanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 384.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 186.4±26.5 °C
Index of Refraction: 1.508
Molar Refractivity: 79.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 589.34
ACD/KOC (pH 5.5): 3346.80
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 589.34
ACD/KOC (pH 7.4): 3346.80
Polar Surface Area: 81 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 267.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement