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Properties of 3-Hydroxy-2,2,4-trimethylpentyl isobutyrate

Thermophysical properties for 3-Hydroxy-2,2,4-trimethylpentyl isobutyrate (CAS: 77-68-9). Use the selector below to view properties in different unit systems.

Calculation Conditions

The following state-dependent properties were calculated at these standard conditions.

Temperature

25 °C

Pressure

1.01325 bar

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Identification

  • Atoms
    C: 12, H: 24, O: 3
  • CAS
    77-68-9
  • Formula
    C12H24O3
  • ID
    77-68-9
  • InChI
    C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3
  • InChI Key
    DAFHKNAQFPVRKR-UHFFFAOYSA-N
  • IUPAC Name
    (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate
  • Molecular Weight (kg)
    216.317
  • Phase
    l
  • PubChem ID
    6490
  • SMILES
    CC(C)C(=O)OCC(C)(C)C(O)C(C)C
  • Synonyms

Physical Properties

  • Acentric factor
    3
  • Critical pressure (bar)
    17.57
  • Critical temperature (°C)
    414.75
  • Critical volume (m³/kmol)
    0.776
  • Dipole moment
  • Melting temperature (°C)
    -50
  • Normal boiling temperature (°C)
    346.86

State-dependent Properties

  • API gravity
    20.1994
  • Compressibility factor
    0.00951677
  • Density (kg/m³)
    929.071
  • Dynamic viscosity (cP)
    1.7906
  • Enthalpy of vaporization (mass) (kJ)
    1121.95
  • Enthalpy of vaporization (molar) (kJ/kmol)
    2.4270e+5
  • Gibbs free energy (kJ/kmol)
    0
  • Joule–Thomson coefficient
    -5.1289e-7
  • Kinematic viscosity
    1.9273e-6
  • Molar enthalpy (kJ/kmol)
    0
  • Molar entropy (kJ/(kmol·K))
    0
  • Molar heat capacity (kJ/(kmol·K))
    410.05
  • Molar volume (m³/kmol)
    0.232832
  • Parachor
    1.1907e-4
  • Poynting correction factor
    1.00956
  • Prandtl number
    22.2216
  • Saturation pressure (bar)
    1.5907e-16
  • Saturation temperature (°C)
    328.955
  • Solubility parameter
    3.2120e+4
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    0.929986
  • Specific heat capacity (kJ/kg·K)
    1.8956
  • Surface tension
    0.0658322
  • Thermal conductivity
    0.152746
  • Thermal diffusivity
    8.6731e-8

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    106
  • Lower flammability limit
    0.00691476
  • Upper flammability limit
    0.044003

Environmental Properties

  • Global warming potential
  • Ozone depletion potential