ChemSpider 2D Image | Ethyl 3-(3,4-difluorophenyl)-2-propynoate | C11H8F2O2

Ethyl 3-(3,4-difluorophenyl)-2-propynoate

  • Molecular FormulaC11H8F2O2
  • Average mass210.177 Da
  • Monoisotopic mass210.049240 Da
  • ChemSpider ID45921879

More details:

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

2-Propynoic acid, 3-(3,4-difluorophenyl)-, ethyl ester [ACD/Index Name]
3-(3,4-Difluorophényl)-2-propynoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-(3,4-difluorophenyl)-2-propynoate [ACD/IUPAC Name]
Ethyl-3-(3,4-difluorphenyl)propiolat [German] [ACD/IUPAC Name]
(3,4-Difluoro-phenyl)-propynoic acid ethyl ester
1229236-35-4 [RN]
ethyl 3-(3,4-difluorophenyl)prop-2-ynoate
MFCD22686288

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

Density: 1.2±0.1 g/cm3
Boiling Point: 267.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.5±3.0 kJ/mol
Flash Point: 112.0±19.4 °C
Index of Refraction: 1.505
Molar Refractivity: 50.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 169.32
ACD/KOC (pH 5.5): 1370.61
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 169.32
ACD/KOC (pH 7.4): 1370.61
Polar Surface Area: 26 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 39.2±5.0 dyne/cm
Molar Volume: 168.4±5.0 cm3

Click to predict properties on the Chemicalize site


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