ChemSpider 2D Image | 3-Chloro-2-hydroxypropyl heptadecanoate | C20H39ClO3

3-Chloro-2-hydroxypropyl heptadecanoate

  • Molecular FormulaC20H39ClO3
  • Average mass362.975 Da
  • Monoisotopic mass362.258759 Da
  • ChemSpider ID22547027

More details:

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

3-Chlor-2-hydroxypropyl-heptadecanoat [German] [ACD/IUPAC Name]
3-Chloro-2-hydroxypropyl heptadecanoate [ACD/IUPAC Name]
Heptadécanoate de 3-chloro-2-hydroxypropyle [French] [ACD/IUPAC Name]
Heptadecanoic acid, 3-chloro-2-hydroxypropyl ester [ACD/Index Name]
(3-chloro-2-hydroxypropyl) heptadecanoate
1-HEPTANDECANOYL-3-CHLOROPROPANEDIOL
87505-04-2 [RN]
HEPTADECANOIC ACID 3-CHLORO-2-HYDROXYPROPYL ESTER
RAC 1-HEPTANDECANOYL-3-CHLOROPROPANEDIOL

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 457.4±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.8±6.0 kJ/mol
    Flash Point: 230.4±23.2 °C
    Index of Refraction: 1.466
    Molar Refractivity: 102.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 19
    #Rule of 5 Violations: 1
    ACD/LogP: 8.02
    ACD/LogD (pH 5.5): 8.06
    ACD/BCF (pH 5.5): 782020.31
    ACD/KOC (pH 5.5): 575353.69
    ACD/LogD (pH 7.4): 8.06
    ACD/BCF (pH 7.4): 782016.88
    ACD/KOC (pH 7.4): 575351.19
    Polar Surface Area: 47 Å2
    Polarizability: 40.8±0.5 10-24cm3
    Surface Tension: 35.3±3.0 dyne/cm
    Molar Volume: 371.4±3.0 cm3

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