- InChI
- InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m1/s1
- InChI Key
- OHMBHFSEKCCCBW-UHFFFAOYSA-N
- Formula
- C6H14O2
- SMILES
- CC(O)CCC(C)O
- Molecular Weight1
- 118.18
- CAS
- 2935-44-6
- Other Names
-
- (2R,5R)-2,5-hexanediol
- 2,5-dihydroxyhexane
- Hexan-2,5-diol
- [R-(R*,R*)]-2,5-hexanediol
- diisopropanol
- hexane-2,5-diol
- ω : Acentric Factor.
- Cp,gas : Ideal gas 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).
- IE : Ionization energy (eV).
- 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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- γ : Surface Tension (N/m).
- 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 |
|---|---|---|---|
| ω | 0.6771 | Relay (1.0) Calculated Property | |
| ΔfG° | -278.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -524.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.528 | Crippen Calculated Property | |
| McVol | 107.140 | ml/mol | McGowan Calculated Property |
| Pc | 3935.71 | kPa | Joback Calculated Property |
| Inp | [907.00; 942.00] |
|
|
| Inp | 942.00 | NIST | |
| Inp | 907.00 | NIST | |
| Inp | 907.00 | NIST | |
| Inp | 942.00 | NIST | |
| Ip | [1853.00; 1853.00] |
|
|
| Ip | 1853.00 | NIST | |
| Ip | 1853.00 | NIST | |
| Tboil | [363.15; 493.95] | K |
|
| Tboil | 490.20 | K | NIST |
| Tboil | 363.15 ± 1.00 | K | NIST |
| Tboil | 493.95 ± 2.00 | K | NIST |
| Tboil | 480.15 ± 3.00 | K | NIST |
| Tc | 625.02 | K | Relay (1.0) Calculated Property |
| Tfus | 316.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.411 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [157.14; 367.29] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.65200e+00 | |||
| Coefficient B | 6.53640e-01 | |||
| Coefficient C | -3.69800e-04 | |||
| Coefficient D | 7.88000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 157.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 193.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 225.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 254.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 279.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 302.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 321.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 339.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 354.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 367.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0162556; 0.0001463] | Pa×s | [316.15; 478.43] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.80058e+01 | |||
| Coefficient B | 4.39022e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 316.15 | |||
| Temperature range, max. | 478.43 | |||
| η | 0.0162556 | Pa×s | 316.15 | Calculated Property |
| η | 0.0076842 | Pa×s | 334.18 | Calculated Property |
| η | 0.0039221 | Pa×s | 352.21 | Calculated Property |
| η | 0.0021374 | Pa×s | 370.24 | Calculated Property |
| η | 0.0012323 | Pa×s | 388.28 | Calculated Property |
| η | 0.0007461 | Pa×s | 406.31 | Calculated Property |
| η | 0.0004714 | Pa×s | 424.34 | Calculated Property |
| η | 0.0003092 | Pa×s | 442.37 | Calculated Property |
| η | 0.0002096 | Pa×s | 460.40 | Calculated Property |
| η | 0.0001463 | Pa×s | 478.43 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [382.16; 521.14] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.62895e+01 | |||
| Coefficient B | -4.85964e+03 | |||
| Coefficient C | -7.84680e+01 | |||
| Temperature range, min. | 382.16 | |||
| Temperature range, max. | 521.14 | |||
| Pvap | 1.33 | kPa | 382.16 | Calculated Property |
| Pvap | 2.89 | kPa | 397.60 | Calculated Property |
| Pvap | 5.84 | kPa | 413.04 | Calculated Property |
| Pvap | 11.08 | kPa | 428.49 | Calculated Property |
| Pvap | 19.93 | kPa | 443.93 | Calculated Property |
| Pvap | 34.17 | kPa | 459.37 | Calculated Property |
| Pvap | 56.17 | kPa | 474.81 | Calculated Property |
| Pvap | 88.96 | kPa | 490.26 | Calculated Property |
| Pvap | 136.28 | kPa | 505.70 | Calculated Property |
| Pvap | 202.65 | kPa | 521.14 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Hexanediol.
Mixtures
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- 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
- 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
- Enthalpic Pairwise Interactions of Isomers of 2,4-pentanediol and 2,5-hexanediol in Dimethylsulfoxide + Water Mixtures at 298.15 K
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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