ChemSpider 2D Image | Ethyl 3-(4-methylphenyl)-2-propynoate | C12H12O2

Ethyl 3-(4-methylphenyl)-2-propynoate

  • Molecular FormulaC12H12O2
  • Average mass188.223 Da
  • Monoisotopic mass188.083725 Da
  • ChemSpider ID24722861

More details:

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

2-Propynoic acid, 3-(4-methylphenyl)-, ethyl ester [ACD/Index Name]
3-(4-Méthylphényl)-2-propynoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-(4-methylphenyl)-2-propynoate [ACD/IUPAC Name]
Ethyl-3-(4-methylphenyl)propiolat [German] [ACD/IUPAC Name]
52188-06-4 [RN]
ethyl 3-(4-methylphenyl)prop-2-ynoate
Ethyl 3-(p-tolyl)propiolate
MFCD07772989
PARA-TOLYL-PROPYNOIC ACID ETHYL ESTER
p-Tolyl-propynoic acid ethyl ester

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 280.7±19.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.9±3.0 kJ/mol
    Flash Point: 131.2±9.5 °C
    Index of Refraction: 1.534
    Molar Refractivity: 54.4±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.18
    ACD/LogD (pH 5.5): 3.31
    ACD/BCF (pH 5.5): 193.86
    ACD/KOC (pH 5.5): 1510.06
    ACD/LogD (pH 7.4): 3.31
    ACD/BCF (pH 7.4): 193.86
    ACD/KOC (pH 7.4): 1510.06
    Polar Surface Area: 26 Å2
    Polarizability: 21.6±0.5 10-24cm3
    Surface Tension: 41.9±5.0 dyne/cm
    Molar Volume: 174.9±5.0 cm3

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