ChemSpider 2D Image | 2,4-Bis[4-(benzyloxy)-4-oxobutoxy]benzoic acid | C29H30O8

2,4-Bis[4-(benzyloxy)-4-oxobutoxy]benzoic acid

  • Molecular FormulaC29H30O8
  • Average mass506.544 Da
  • Monoisotopic mass506.194061 Da
  • ChemSpider ID2502739

More details:

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

2,4-Bis[4-(benzyloxy)-4-oxobutoxy]benzoesäure [German] [ACD/IUPAC Name]
2,4-Bis[4-(benzyloxy)-4-oxobutoxy]benzoic acid [ACD/IUPAC Name]
Acide 2,4-bis[4-(benzyloxy)-4-oxobutoxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2,4-bis[4-oxo-4-(phenylmethoxy)butoxy]- [ACD/Index Name]
2,4-bis(4-(benzyloxy)-4-oxobutoxy)benzoic acid
2,4-bis(4-oxo-4-phenylmethoxybutoxy)benzoic acid
342042-96-0 [RN]
AC1MLYJ3
AGN-PC-0KR7Y5
MCULE-3197317016
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AE-534/30091021 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 679.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 104.7±3.0 kJ/mol
    Flash Point: 221.6±25.0 °C
    Index of Refraction: 1.578
    Molar Refractivity: 136.1±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations: 2
    ACD/LogP: 5.47
    ACD/LogD (pH 5.5): 3.82
    ACD/BCF (pH 5.5): 178.22
    ACD/KOC (pH 5.5): 449.09
    ACD/LogD (pH 7.4): 2.55
    ACD/BCF (pH 7.4): 9.47
    ACD/KOC (pH 7.4): 23.85
    Polar Surface Area: 108 Å2
    Polarizability: 54.0±0.5 10-24cm3
    Surface Tension: 50.6±3.0 dyne/cm
    Molar Volume: 410.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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