ChemSpider 2D Image | (3,5-Dichloro-phenyl)-propynoic acid | C9H4Cl2O2

(3,5-Dichloro-phenyl)-propynoic acid

  • Molecular FormulaC9H4Cl2O2
  • Average mass215.033 Da
  • Monoisotopic mass213.958832 Da
  • ChemSpider ID32837373

More details:

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

(3,5-Dichloro-phenyl)-propynoic acid
1343152-27-1 [RN]
2-Propynoic acid, 3-(3,5-dichlorophenyl)- [ACD/Index Name]
3-(3,5-Dichlorophenyl)-2-propynoic acid [ACD/IUPAC Name]
3-(3,5-Dichlorphenyl)-2-propinsäure [German] [ACD/IUPAC Name]
Acide 3-(3,5-dichlorophényl)-2-propynoïque [French] [ACD/IUPAC Name]
(3,5-DICHLORO-PHENYL)-PROPYNOIC ACID(WX191411)
3-(3,5-dichlorophenyl)prop-2-ynoic acid
3-(3,5-dichlorophenyl)propiolic acid
MFCD20347460

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 382.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.6±3.0 kJ/mol
    Flash Point: 185.4±27.9 °C
    Index of Refraction: 1.634
    Molar Refractivity: 50.0±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.81
    ACD/LogD (pH 5.5): -0.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 37 Å2
    Polarizability: 19.8±0.5 10-24cm3
    Surface Tension: 65.7±5.0 dyne/cm
    Molar Volume: 139.6±5.0 cm3

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