- 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-Methyl-2,4-pentanediol
- 2-Methylpentan-2,4-diol
- 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
- «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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- 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).
- Pc : Critical Pressure (kPa).
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -273.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -485.66 | kJ/mol | Joback Calculated Property |
| 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 | -1.08 | Crippen Calculated Property | |
| logPoct/wat | 0.528 | Crippen Calculated Property | |
| McVol | 107.140 | ml/mol | McGowan Calculated Property |
| Pc | 3990.60 | kPa | Joback 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 |
| Tc | 685.89 | K | Joback Calculated Property |
| Tfus | 266.44 | K | Joback Calculated Property |
| Vc | 0.393 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.90; 307.94] | J/mol×K | [517.37; 685.89] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 260 270 280 290 300 310 550 600 650 | ||||
| Cp,gas | 258.90 | J/mol×K | 517.37 | Joback Calculated Property |
| Cp,gas | 268.16 | J/mol×K | 545.46 | Joback Calculated Property |
| Cp,gas | 276.95 | J/mol×K | 573.54 | Joback Calculated Property |
| Cp,gas | 285.31 | J/mol×K | 601.63 | Joback Calculated Property |
| Cp,gas | 293.24 | J/mol×K | 629.72 | Joback Calculated Property |
| Cp,gas | 300.78 | J/mol×K | 657.80 | Joback Calculated Property |
| Cp,gas | 307.94 | J/mol×K | 685.89 | Joback Calculated Property |
| Cp,liquid | [263.09; 313.68] | J/mol×K | [298.15; 353.15] |
|
|
T(K) Liquid phase heat capacity (J/mol×K) 260 270 280 290 300 310 300 320 340 | ||||
| Cp,liquid | 263.09 | J/mol×K | 298.15 | Molar h... |
| Cp,liquid | 267.10 | J/mol×K | 303.15 | Molar h... |
| Cp,liquid | 271.31 | J/mol×K | 308.15 | Molar h... |
| Cp,liquid | 275.53 | J/mol×K | 313.15 | Molar h... |
| Cp,liquid | 279.94 | J/mol×K | 318.15 | Molar h... |
| Cp,liquid | 284.50 | J/mol×K | 323.15 | Molar h... |
| Cp,liquid | 289.17 | J/mol×K | 328.15 | Molar h... |
| Cp,liquid | 293.90 | J/mol×K | 333.15 | Molar h... |
| Cp,liquid | 298.68 | J/mol×K | 338.15 | Molar h... |
| Cp,liquid | 303.35 | J/mol×K | 343.15 | Molar h... |
| Cp,liquid | 313.68 | J/mol×K | 353.15 | Molar h... |
| η | [0.0000728; 0.3110979] | Pa×s | [266.44; 517.37] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 0.05 0.1 0.15 0.2 0.25 0.3 300 400 500 | ||||
| η | 0.3110979 | Pa×s | 266.44 | Joback Calculated Property |
| η | 0.0300065 | Pa×s | 308.26 | Joback Calculated Property |
| η | 0.0050606 | Pa×s | 350.08 | Joback Calculated Property |
| η | 0.0012479 | Pa×s | 391.90 | Joback Calculated Property |
| η | 0.0004031 | Pa×s | 433.73 | Joback Calculated Property |
| η | 0.0001588 | Pa×s | 475.55 | Joback Calculated Property |
| η | 0.0000728 | Pa×s | 517.37 | Joback Calculated Property |
| ΔvapH | 58.10 | kJ/mol | 423.00 | NIST |
| Pvap | [2.50e-03; 0.12] | kPa | [285.20; 329.40] |
|
|
T(K) Vapor pressure (kPa) 0 0.02 0.04 0.06 0.08 0.1 0.12 300 320 | ||||
| Pvap | 2.50e-03 | kPa | 285.20 | Vapor P... |
| Pvap | 3.33e-03 | kPa | 287.90 | Vapor P... |
| Pvap | 4.74e-03 | kPa | 291.20 | Vapor P... |
| Pvap | 6.48e-03 | kPa | 294.20 | Vapor P... |
| Pvap | 8.58e-03 | kPa | 297.20 | Vapor P... |
| Pvap | 0.01 | kPa | 300.20 | Vapor P... |
| Pvap | 0.01 | kPa | 303.20 | Vapor P... |
| Pvap | 0.02 | kPa | 306.50 | Vapor P... |
| Pvap | 0.03 | kPa | 309.40 | Vapor P... |
| Pvap | 0.03 | kPa | 312.50 | Vapor P... |
| Pvap | 0.04 | kPa | 315.20 | Vapor P... |
| Pvap | 0.05 | kPa | 318.20 | Vapor P... |
| Pvap | 0.06 | kPa | 321.20 | Vapor P... |
| Pvap | 0.08 | kPa | 323.30 | Vapor P... |
| Pvap | 0.09 | kPa | 326.30 | Vapor P... |
| Pvap | 0.12 | kPa | 329.40 | Vapor P... |
| n0 | 1.42580 | 298.15 | Study o... | |
| ρl | 915.60 | kg/m3 | 298.15 | Isobari... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [7.83e-09; 3683.67] | kPa | [223.15; 621.00] |
KDB Vap...
|
| 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 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 4000 300 400 500 600 | ||||
| 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 Pure (Korean Thermophysical Properties Databank)
- KDB Vapor Pressure Data
- 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.