- InChI
- InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
- InChI Key
- XXMIOPMDWAUFGU-UHFFFAOYSA-N
- Formula
- C6H14O2
- SMILES
- OCCCCCCO
- Molecular Weight1
- 118.17
- CAS
- 629-11-8
- Other Names
-
- .alpha.,.omega.-hexanediol
- .omega.-hexanediol
- 1,6-DIHYDROXYHEXANE
- HDO
- HEXAMETHYLENE GLYCOL
- Hexamethylenediol
- Hexane-1,6-diol
- Hexanediol-(1,6)
- «alpha»,«omega»-Hexanediol
- «alpha»,«omega»-Hexanediol
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- Cp,solid : Solid 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- ρc : Critical density (kg/m3).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| ΔcH°solid | [-3999.80; -3778.01] | kJ/mol |
|
| ΔcH°solid | -3778.01 ± 0.60 | kJ/mol | NIST |
| ΔcH°solid | -3787.70 ± 4.40 | kJ/mol | NIST |
| ΔcH°solid | -3999.80 ± 2.30 | kJ/mol | NIST |
| ΔcH°solid | -3791.90 ± 4.80 | kJ/mol | NIST |
| ΔfG° | -274.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-462.10; -253.40] | kJ/mol |
|
| ΔfH°gas | -459.40 ± 1.90 | kJ/mol | NIST |
| ΔfH°gas | -462.10 ± 4.40 | kJ/mol | NIST |
| ΔfH°gas | -253.40 | kJ/mol | NIST |
| ΔfH°gas | -461.10 ± 5.40 | kJ/mol | NIST |
| ΔfH°solid | [-583.86; -362.17] | kJ/mol |
|
| ΔfH°solid | -583.86 ± 0.72 | kJ/mol | NIST |
| ΔfH°solid | -574.10 ± 4.40 | kJ/mol | NIST |
| ΔfH°solid | -362.17 | kJ/mol | NIST |
| ΔfH°solid | -569.90 ± 5.00 | kJ/mol | NIST |
| ΔfusH° | 19.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [90.70; 98.50] | kJ/mol |
|
| ΔvapH° | 98.50 ± 1.80 | kJ/mol | NIST |
| ΔvapH° | 90.90 ± 4.10 | kJ/mol | NIST |
| ΔvapH° | 90.70 ± 1.10 | kJ/mol | NIST |
| log10WS | -0.86 | Crippen Calculated Property | |
| logPoct/wat | 0.531 | Crippen Calculated Property | |
| McVol | 107.140 | ml/mol | McGowan Calculated Property |
| Pc | [3000.00; 4080.00] | kPa |
|
| Pc | 4080.00 | kPa | Critica... |
| Pc | 3000.00 ± 400.00 | kPa | NIST |
| ρc | 294.25 ± 15.36 | kg/m3 | NIST |
| Inp | [1093.00; 1138.00] |
|
|
| Inp | 1114.38 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1111.00 | NIST | |
| Tboil | [516.15; 523.20] | K |
|
| Tboil | 523.20 | K | NIST |
| Tboil | 516.15 ± 3.00 | K | NIST |
| Tc | [700.00; 734.00] | K |
|
| Tc | 734.00 | K | Critica... |
| Tc | 700.00 ± 4.00 | K | NIST |
| Tfus | 314.70 | K | Thermod... |
| Ttriple | 314.60 ± 0.20 | K | NIST |
| Vc | 0.409 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.05; 301.09] | J/mol×K | [521.04; 678.43] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 260 270 280 290 300 550 600 650 | ||||
| Cp,gas | 255.05 | J/mol×K | 521.04 | Joback Calculated Property |
| Cp,gas | 263.49 | J/mol×K | 547.27 | Joback Calculated Property |
| Cp,gas | 271.62 | J/mol×K | 573.50 | Joback Calculated Property |
| Cp,gas | 279.43 | J/mol×K | 599.73 | Joback Calculated Property |
| Cp,gas | 286.94 | J/mol×K | 625.97 | Joback Calculated Property |
| Cp,gas | 294.16 | J/mol×K | 652.20 | Joback Calculated Property |
| Cp,gas | 301.09 | J/mol×K | 678.43 | Joback Calculated Property |
| Cp,liquid | [282.66; 317.77] | J/mol×K | [318.65; 353.15] |
|
|
T(K) Liquid phase heat capacity (J/mol×K) 280 290 300 310 320 320 330 340 350 | ||||
| Cp,liquid | 282.66 | J/mol×K | 318.65 | Heat Ca... |
| Cp,liquid | 284.25 | J/mol×K | 320.15 | Heat Ca... |
| Cp,liquid | 285.84 | J/mol×K | 321.65 | Heat Ca... |
| Cp,liquid | 287.42 | J/mol×K | 323.15 | Heat Ca... |
| Cp,liquid | 288.99 | J/mol×K | 324.65 | Heat Ca... |
| Cp,liquid | 290.55 | J/mol×K | 326.15 | Heat Ca... |
| Cp,liquid | 292.12 | J/mol×K | 327.65 | Heat Ca... |
| Cp,liquid | 293.67 | J/mol×K | 329.15 | Heat Ca... |
| Cp,liquid | 295.22 | J/mol×K | 330.65 | Heat Ca... |
| Cp,liquid | 296.76 | J/mol×K | 332.15 | Heat Ca... |
| Cp,liquid | 298.30 | J/mol×K | 333.65 | Heat Ca... |
| Cp,liquid | 299.83 | J/mol×K | 335.15 | Heat Ca... |
| Cp,liquid | 301.36 | J/mol×K | 336.65 | Heat Ca... |
| Cp,liquid | 302.88 | J/mol×K | 338.15 | Heat Ca... |
| Cp,liquid | 304.40 | J/mol×K | 339.65 | Heat Ca... |
| Cp,liquid | 305.91 | J/mol×K | 341.15 | Heat Ca... |
| Cp,liquid | 307.41 | J/mol×K | 342.65 | Heat Ca... |
| Cp,liquid | 308.91 | J/mol×K | 344.15 | Heat Ca... |
| Cp,liquid | 310.40 | J/mol×K | 345.65 | Heat Ca... |
| Cp,liquid | 311.88 | J/mol×K | 347.15 | Heat Ca... |
| Cp,liquid | 313.36 | J/mol×K | 348.65 | Heat Ca... |
| Cp,liquid | 314.84 | J/mol×K | 350.15 | Heat Ca... |
| Cp,liquid | 316.31 | J/mol×K | 351.65 | Heat Ca... |
| Cp,liquid | 317.77 | J/mol×K | 353.15 | Heat Ca... |
| Cp,solid | 202.90 | J/mol×K | 298.15 | NIST |
| η | [0.0000781; 0.1028495] | Pa×s | [279.02; 521.04] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 0.02 0.04 0.06 0.08 0.1 300 400 500 | ||||
| η | 0.1028495 | Pa×s | 279.02 | Joback Calculated Property |
| η | 0.0145873 | Pa×s | 319.36 | Joback Calculated Property |
| η | 0.0032062 | Pa×s | 359.69 | Joback Calculated Property |
| η | 0.0009565 | Pa×s | 400.03 | Joback Calculated Property |
| η | 0.0003562 | Pa×s | 440.37 | Joback Calculated Property |
| η | 0.0001565 | Pa×s | 480.70 | Joback Calculated Property |
| η | 0.0000781 | Pa×s | 521.04 | Joback Calculated Property |
| ΔfusH | [22.60; 25.52] | kJ/mol | [315.00; 340.60] |
|
|
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 22.5 23 23.5 24 24.5 25 25.5 320 330 340 | ||||
| ΔfusH | 22.60 | kJ/mol | 315.00 | NIST |
| ΔfusH | 25.50 | kJ/mol | 316.00 | NIST |
| ΔfusH | 25.52 | kJ/mol | 320.60 | NIST |
| ΔfusH | 25.52 | kJ/mol | 320.60 | NIST |
| ΔfusH | 25.52 | kJ/mol | 340.60 | NIST |
| ΔvapH | [67.00; 90.20] | kJ/mol | [298.15; 457.00] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 65 70 75 80 85 90 300 350 400 450 | ||||
| ΔvapH | 90.20 | kJ/mol | 298.15 | Vaporiz... |
| ΔvapH | 87.00 | kJ/mol | 342.00 | NIST |
| ΔvapH | 87.80 ± 1.10 | kJ/mol | 457.00 | NIST |
| ΔvapH | 80.80 ± 0.90 | kJ/mol | 457.00 | NIST |
| ΔvapH | 73.90 ± 0.70 | kJ/mol | 457.00 | NIST |
| ΔvapH | 67.00 ± 0.60 | kJ/mol | 457.00 | NIST |
| Pvap | [10.00; 99.00] | kPa | [456.93; 525.10] |
|
| Pvap | 10.00 | kPa | 456.93 | Isobari... |
| Pvap | 20.00 | kPa | 474.79 | Isobari... |
| Pvap | 99.00 | kPa | 525.10 | Isobari... |
| ΔfusS | 79.61 | J/mol×K | 320.60 | NIST |
Datasets
Mass density, kg/m3
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Pressure, kPa - Liquid | Mass density, kg/m3 - Liquid |
| 293.15 | 101.13 | 947.0 |
| Reference | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [405.56; 550.59] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.63604e+01 | |||
| Coefficient B | -5.12658e+03 | |||
| Coefficient C | -8.66000e+01 | |||
| Temperature range, min. | 405.56 | |||
| Temperature range, max. | 550.59 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 450 500 550 | ||||
| Pvap | 1.33 | kPa | 405.56 | Calculated Property |
| Pvap | 2.89 | kPa | 421.67 | Calculated Property |
| Pvap | 5.83 | kPa | 437.79 | Calculated Property |
| Pvap | 11.06 | kPa | 453.90 | Calculated Property |
| Pvap | 19.88 | kPa | 470.02 | Calculated Property |
| Pvap | 34.09 | kPa | 486.13 | Calculated Property |
| Pvap | 56.06 | kPa | 502.25 | Calculated Property |
| Pvap | 88.83 | kPa | 518.36 | Calculated Property |
| Pvap | 136.17 | kPa | 534.48 | Calculated Property |
| Pvap | 202.65 | kPa | 550.59 | Calculated Property |
| Pvap | [8.76e-04; 3577.92] | kPa | [315.15; 670.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 4.72529e+01 | |||
| Coefficient B | -1.09851e+04 | |||
| Coefficient C | -3.34294e+00 | |||
| Coefficient D | -2.05207e-06 | |||
| Temperature range, min. | 315.15 | |||
| Temperature range, max. | 670.00 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 400 500 600 | ||||
| Pvap | 8.76e-04 | kPa | 315.15 | Calculated Property |
| Pvap | 0.03 | kPa | 354.58 | Calculated Property |
| Pvap | 0.40 | kPa | 394.01 | Calculated Property |
| Pvap | 3.41 | kPa | 433.43 | Calculated Property |
| Pvap | 19.58 | kPa | 472.86 | Calculated Property |
| Pvap | 82.67 | kPa | 512.29 | Calculated Property |
| Pvap | 274.06 | kPa | 551.72 | Calculated Property |
| Pvap | 748.53 | kPa | 591.14 | Calculated Property |
| Pvap | 1746.45 | kPa | 630.57 | Calculated Property |
| Pvap | 3577.92 | kPa | 670.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,6-Hexanediol.
Mixtures
Sources
- KDB Pure (Korean Thermophysical Properties Databank)
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Effect of temperature on the surface tension of diluted aqueous solutions of 1,2-hexanediol, 1,5-hexanediol, 1,6-hexanediol and 2,5-hexanediol
- Critical temperatures and pressures of straight-chain alkanediols (C3 to C12)
- Effect of temperature on the volumetric properties of dilute aqueous solutions of 1,2-hexanediol, 1,5-hexanediol, 1,6-hexanediol, and 2,5-hexanediol
- Thermodynamics of fusion and sublimation for a homologous series of eleven alkane-.alpha.,.omega.-diols HO-(CH2)n-OH: Structure-related odd even effect
- Activity Coefficients at Infinite Dilution of Various Solutes in Tetrapropylammonium Bromide + 1,6-Hexanediol Deep Eutectic Solvent
- Thermophysical and Molar Volume Aberration of Amphiphilic Eutectic Mix of Bivalent Diols and Ammonium-Ionic Liquid
- Isobaric Vapor-Liquid Equilibrium for the Binary System of Dimethyl Adipate and 1,6-Hexanediol at 10, 20, and 99 kPa
- Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
- Vaporization Enthalpies of the r,o-Alkanediols by Correlation Gas Chromatography
- Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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.