- InChI
- InChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3
- InChI Key
- IVDFJHOHABJVEH-UHFFFAOYSA-N
- Formula
- C6H14O2
- SMILES
- CC(C)(O)C(C)(C)O
- Molecular Weight1
- 118.17
- CAS
- 76-09-5
- Other Names
-
- 1,1,2,2-tetramethylethylene glycol
- 2,3-dihydroxy-2,3-dimethylbutane
- 2,3-dimethyl-2,3-butanediol
- 2,3-dimethyl-2,3-dihydroxybutane
- meso-2,3-Dimethyl-2,3-butanediol
- pinacol
- pinacone
- tetramethylethylene glycol
- 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).
- ΔfH°liquid : Liquid 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).
- 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).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.6477 | Relay (1.0) Calculated Property | |
| ΔfG° | -268.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -540.40 ± 9.40 | kJ/mol | NIST |
| ΔfH°liquid | -606.30 ± 8.40 | kJ/mol | NIST |
| ΔfusH° | 4.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [65.90; 65.90] | kJ/mol |
|
| ΔvapH° | 65.90 ± 4.20 | kJ/mol | NIST |
| ΔvapH° | 65.90 | kJ/mol | NIST |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.528 | Crippen Calculated Property | |
| McVol | 107.140 | ml/mol | McGowan Calculated Property |
| Pc | 4046.64 | kPa | Joback Calculated Property |
| Inp | [843.00; 850.00] |
|
|
| Inp | 850.00 | NIST | |
| Inp | 843.00 | NIST | |
| Inp | 850.00 | NIST | |
| Ip | [1338.00; 1338.00] |
|
|
| Ip | 1338.00 | NIST | |
| Ip | 1338.00 | NIST | |
| Tboil | [443.15; 474.00] | K |
|
| Tboil | 447.60 | K | NIST |
| Tboil | 447.55 ± 2.00 | K | NIST |
| Tboil | Outlier 474.00 ± 6.00 | K | NIST |
| Tboil | 447.50 ± 0.35 | K | NIST |
| Tboil | 443.65 ± 4.00 | K | NIST |
| Tboil | 447.50 ± 0.50 | K | NIST |
| Tboil | 447.50 ± 0.50 | K | NIST |
| Tboil | 446.90 ± 0.50 | K | NIST |
| Tboil | 443.15 ± 5.00 | K | NIST |
| Tc | 636.56 | K | Relay (1.0) Calculated Property |
| Tfus | [314.25; 316.48] | K |
|
| Tfus | 316.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 316.48 ± 0.05 | K | NIST |
| Tfus | 314.25 ± 1.00 | K | NIST |
| Vc | 0.407 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [14.70; 14.70] | kJ/mol | [316.20; 316.20] |
|
| ΔfusH | 14.70 | kJ/mol | 316.20 | NIST |
| ΔfusH | 14.70 | kJ/mol | 316.20 | NIST |
| ΔvapH | 59.10 | kJ/mol | 397.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 444.70 | K | 98.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.85; 369.15] | 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 | -4.09300e+01 | |||
| Coefficient B | 8.93480e-01 | |||
| Coefficient C | -7.07000e-04 | |||
| Coefficient D | 2.23600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 154.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 196.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 232.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 262.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 287.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 309.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 327.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 342.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 356.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 369.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0270050; 0.0001410] | Pa×s | [315.63; 482.49] |
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 | -1.88058e+01 | |||
| Coefficient B | 4.79566e+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. | 315.63 | |||
| Temperature range, max. | 482.49 | |||
| η | 0.0270050 | Pa×s | 315.63 | Calculated Property |
| η | 0.0116233 | Pa×s | 334.17 | Calculated Property |
| η | 0.0054665 | Pa×s | 352.71 | Calculated Property |
| η | 0.0027721 | Pa×s | 371.25 | Calculated Property |
| η | 0.0014996 | Pa×s | 389.79 | Calculated Property |
| η | 0.0008577 | Pa×s | 408.33 | Calculated Property |
| η | 0.0005150 | Pa×s | 426.87 | Calculated Property |
| η | 0.0003226 | Pa×s | 445.41 | Calculated Property |
| η | 0.0002098 | Pa×s | 463.95 | Calculated Property |
| η | 0.0001410 | Pa×s | 482.49 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.21; 202.66] | kPa | [314.25; 473.70] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.60845e+01 | |||
| Coefficient B | -4.40158e+03 | |||
| Coefficient C | -6.51240e+01 | |||
| Temperature range, min. | 314.25 | |||
| Temperature range, max. | 473.70 | |||
| Pvap | 0.21 | kPa | 314.25 | Calculated Property |
| Pvap | 0.66 | kPa | 331.97 | Calculated Property |
| Pvap | 1.85 | kPa | 349.68 | Calculated Property |
| Pvap | 4.59 | kPa | 367.40 | Calculated Property |
| Pvap | 10.27 | kPa | 385.12 | Calculated Property |
| Pvap | 21.13 | kPa | 402.83 | Calculated Property |
| Pvap | 40.47 | kPa | 420.55 | Calculated Property |
| Pvap | 72.86 | kPa | 438.27 | Calculated Property |
| Pvap | 124.36 | kPa | 455.98 | Calculated Property |
| Pvap | 202.66 | kPa | 473.70 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Butanediol, 2,3-dimethyl-.
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
- Concentration dependent melting enthalpy, crystallization velocity, and thermal cycling stability of pinacone hexahydrate
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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