- InChI
- InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
- InChI Key
- SVTBMSDMJJWYQN-YFKPBYRVSA-N
- Formula
- C6H14O2
- SMILES
- CC(O)CC(C)(C)O
- Molecular Weight1
- 118.17
- CAS
- 107-41-5
- Other Names
-
- (.+/-.)-2-Methyl-2,4-pentanediol
- 1,1,3-Trimethyltrimethylenediol
- 2,4-Dihydroxy-2-methylpentane
- 2,4-pentanediol, 2-methyl-
- 2-Methyl pentane-2,4-diol
- 2-Methyl-2,4-pentandiol
- 2-Methylpentan-2,4-diol
- 2-methyl-2,4-pentanediol
- 4-Methyl-2,4-pentanediol
- 4-Methyl-2,4-pentanediole
- DL-2-methyl-2,4-pentanediol
- Diolane
- Isol
- Isophthalic acid
- NSC 8098
- Pinakon
- diacetone glycol
- «alpha»,«alpha»,«alpha»'-Trimethyltrimethylene glycol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 8.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [68.60; 68.90] | kJ/mol |
|
| ΔvapH° | 68.90 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 68.60 ± 0.40 | kJ/mol | NIST |
| log10WS | 0.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.528 | Crippen Calculated Property | |
| McVol | 107.140 | ml/mol | McGowan Calculated Property |
| Inp | [892.00; 913.00] |
|
|
| Inp | 892.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 898.00 | NIST | |
| Inp | 898.00 | NIST | |
| Inp | 898.00 | NIST | |
| I | [1637.00; 1637.00] |
|
|
| I | 1637.00 | NIST | |
| I | 1637.00 | NIST | |
| Tboil | [469.15; 471.42] | K |
|
| Tboil | 471.20 | K | NIST |
| Tboil | 470.15 | K | NIST |
| Tboil | 470.25 ± 1.00 | K | NIST |
| Tboil | 471.42 ± 0.50 | K | NIST |
| Tboil | 469.15 ± 1.00 | K | NIST |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [7.83e-09; 3683.67] | kPa | [223.15; 621.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 2.00693e+02 | |||
| Coefficient B | -1.74091e+04 | |||
| Coefficient C | -2.62395e+01 | |||
| Coefficient D | 1.11703e-05 | |||
| Temperature range, min. | 223.15 | |||
| Temperature range, max. | 621.00 | |||
| Pvap | 7.83e-09 | kPa | 223.15 | Calculated Property |
| Pvap | 3.48e-05 | kPa | 267.36 | Calculated Property |
| Pvap | 8.60e-03 | kPa | 311.56 | Calculated Property |
| Pvap | 0.38 | kPa | 355.77 | Calculated Property |
| Pvap | 5.71 | kPa | 399.97 | Calculated Property |
| Pvap | 42.13 | kPa | 444.18 | Calculated Property |
| Pvap | 192.36 | kPa | 488.38 | Calculated Property |
| Pvap | 631.82 | kPa | 532.59 | Calculated Property |
| Pvap | 1651.34 | kPa | 576.79 | Calculated Property |
| Pvap | 3683.67 | kPa | 621.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexylene glycol.
Mixtures
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Molar heat capacities for (1-butanol + 1,4-butanediol, 2,3-butanediol, 1,2-butanediol, and 2-methyl-2,4-pentanediol) as function of temperature
- Isobaric Vapor Liquid Equilibrium for Two Binary Systems, (3-Methyl-1-butanol + 1,4-Butanediol) and (Hexylene Glycol + 1,4-Butanediol), at p = 40.0, 60.0, and 80.0 kPa
- Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols
- Study of the Effects of Temperature and Pressure on the Acoustic and Thermodynamic Properties of 2-Methyl-2,4-pentanediol
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.