- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
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] |
|
| 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] |
|
| 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] |
|
| 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] |
|
| 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 | |||
| 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.