- InChI
- InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3
- InChI Key
- FHKSXSQHXQEMOK-UHFFFAOYSA-N
- Formula
- C6H14O2
- SMILES
- CCCCC(O)CO
- Molecular Weight1
- 118.17
- CAS
- 6920-22-5
- Other Names
-
- DL-hexane-1,2-diol
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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.
- 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 |
|---|---|---|---|
| ΔcH°liquid | -3784.80 ± 7.10 | kJ/mol | NIST |
| ΔfG° | -276.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -490.10 ± 7.10 | kJ/mol | NIST |
| ΔfH°liquid | -577.10 ± 7.10 | kJ/mol | NIST |
| ΔfusH° | 15.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [78.70; 87.00] | kJ/mol |
|
| ΔvapH° | 78.70 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 87.00 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 87.00 | kJ/mol | NIST |
| log10WS | -0.97 | Crippen Calculated Property | |
| logPoct/wat | 0.530 | Crippen Calculated Property | |
| McVol | 107.140 | ml/mol | McGowan Calculated Property |
| Pc | 3896.50 | kPa | Joback Calculated Property |
| Inp | [1145.00; 1162.00] |
|
|
| Inp | 1145.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | Outlier 1162.00 | NIST | |
| Inp | 1145.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | Outlier 1162.00 | NIST | |
| Tboil | [496.65; 496.70] | K |
|
| Tboil | 496.70 | K | NIST |
| Tboil | 496.65 ± 4.00 | K | NIST |
| Tc | 680.76 | K | Joback Calculated Property |
| Tfus | 264.02 | K | Joback Calculated Property |
| Vc | 0.404 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.37; 302.40] | J/mol×K | [520.60; 680.76] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 260 270 280 290 300 550 600 650 | ||||
| Cp,gas | 255.37 | J/mol×K | 520.60 | Joback Calculated Property |
| Cp,gas | 264.02 | J/mol×K | 547.29 | Joback Calculated Property |
| Cp,gas | 272.33 | J/mol×K | 573.99 | Joback Calculated Property |
| Cp,gas | 280.32 | J/mol×K | 600.68 | Joback Calculated Property |
| Cp,gas | 287.99 | J/mol×K | 627.37 | Joback Calculated Property |
| Cp,gas | 295.34 | J/mol×K | 654.07 | Joback Calculated Property |
| Cp,gas | 302.40 | J/mol×K | 680.76 | Joback Calculated Property |
| η | [0.0147900; 0.0834100] | Pa×s | [293.15; 323.15] |
|
| η | 0.0834100 | Pa×s | 293.15 | Excess ... |
| η | 0.0422500 | Pa×s | 303.15 | Excess ... |
| η | 0.0241200 | Pa×s | 313.15 | Excess ... |
| η | 0.0147900 | Pa×s | 323.15 | Excess ... |
| ρl | [937.06; 958.87] | kg/m3 | [283.15; 313.15] |
|
|
T(K) Liquid Density (kg/m3) 935 940 945 950 955 960 290 300 310 | ||||
| ρl | 958.85 | kg/m3 | 283.15 | Excess ... |
| ρl | 958.87 | kg/m3 | 283.15 | Effect ... |
| ρl | 955.23 | kg/m3 | 288.15 | Effect ... |
| ρl | 951.73 | kg/m3 | 293.15 | Excess ... |
| ρl | 951.68 | kg/m3 | 293.15 | Effect ... |
| ρl | 948.10 | kg/m3 | 298.15 | Excess ... |
| ρl | 948.08 | kg/m3 | 298.15 | Effect ... |
| ρl | 944.44 | kg/m3 | 303.15 | Excess ... |
| ρl | 944.54 | kg/m3 | 303.15 | Effect ... |
| ρl | 940.88 | kg/m3 | 308.15 | Effect ... |
| ρl | 937.06 | kg/m3 | 313.15 | Excess ... |
| γ | [0.02; 0.02] | N/m | [283.15; 308.15] |
|
|
T(K) Surface Tension (N/m) 0.02 0.02 0.02 290 300 | ||||
| γ | 0.02 | N/m | 283.15 | Effect ... |
| γ | 0.02 | N/m | 288.15 | Effect ... |
| γ | 0.02 | N/m | 293.15 | Effect ... |
| γ | 0.02 | N/m | 298.15 | Effect ... |
| γ | 0.02 | N/m | 303.15 | Effect ... |
| γ | 0.02 | N/m | 308.15 | Effect ... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [384.72; 520.30] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.66265e+01 | |||
| Coefficient B | -4.98928e+03 | |||
| Coefficient C | -7.93580e+01 | |||
| Temperature range, min. | 384.72 | |||
| Temperature range, max. | 520.30 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 450 500 | ||||
| Pvap | 1.33 | kPa | 384.72 | Calculated Property |
| Pvap | 2.87 | kPa | 399.78 | Calculated Property |
| Pvap | 5.78 | kPa | 414.85 | Calculated Property |
| Pvap | 10.96 | kPa | 429.91 | Calculated Property |
| Pvap | 19.70 | kPa | 444.98 | Calculated Property |
| Pvap | 33.80 | kPa | 460.04 | Calculated Property |
| Pvap | 55.66 | kPa | 475.11 | Calculated Property |
| Pvap | 88.38 | kPa | 490.17 | Calculated Property |
| Pvap | 135.80 | kPa | 505.24 | Calculated Property |
| Pvap | 202.64 | kPa | 520.30 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Hexanediol.
Mixtures
Sources
- 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
- Liquid phase behavior of hexafluorophosphate ionic liquids with polyhydric alcohols
- Excess volumes and excess heat capacities for alkanediol + water systems in the temperature interval (283.15-313.15) K
- Phase behavior of imidazolium and phosphonium tetrafluoroborates with dihydroxy alcohols
- 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
- Excess molar volume and viscosity deviation for binary mixtures of polyethylene glycol dimethyl ether 250 with 1,2-alkanediols (C3 C6) at T = (293.15 to 323.15) K
- Solubility comparison and partial molar volumes of 1,2-hexanediol before and after end-group modification by methyl oxalyl chloride and ethyl oxalyl monochloride in supercritical CO2
- Thermodynamic Properties of Mixtures Containing Ionic Liquids.4.LLE of Binary Mixtures of [C2MIM][NTf2] with Propan-1-ol, Butan-1-ol, and Pentan-1-ol and [C4MIM][NTf2] with Cyclohexanol and 1,2-Hexanediol Including Studies of the Influence of Small Amounts of Water
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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