- InChI
- InChI=1S/C6H14O2/c1-6(2,3)5(8)4-7/h5,7-8H,4H2,1-3H3
- InChI Key
- YVHAOWGRHCPODY-UHFFFAOYSA-N
- Formula
- C6H14O2
- SMILES
- CC(C)(C)C(O)CO
- Molecular Weight1
- 118.17
- CAS
- 59562-82-2
- Other Names
-
- 3,3-Dimethyl-1,2-butanediol
- 3,3-dimethylbutane-1,2-diol
- 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).
- 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).
- 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.
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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° | 60.62 | kJ/mol | Joback Calculated Property |
| log10WS | -0.73 | Crippen Calculated Property | |
| logPoct/wat | 0.386 | Crippen Calculated Property | |
| McVol | 107.140 | ml/mol | McGowan Calculated Property |
| Pc | 3990.60 | kPa | Joback Calculated Property |
| I | 1843.00 | NIST | |
| Tboil | 478.65 ± 5.00 | 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 |
| 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [369.92; 503.94] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.63963e+01 | |||
| Coefficient B | -4.76343e+03 | |||
| Coefficient C | -7.42150e+01 | |||
| Temperature range, min. | 369.92 | |||
| Temperature range, max. | 503.94 | |||
| Pvap | 1.33 | kPa | 369.92 | Calculated Property |
| Pvap | 2.89 | kPa | 384.81 | Calculated Property |
| Pvap | 5.82 | kPa | 399.70 | Calculated Property |
| Pvap | 11.04 | kPa | 414.59 | Calculated Property |
| Pvap | 19.85 | kPa | 429.48 | Calculated Property |
| Pvap | 34.05 | kPa | 444.38 | Calculated Property |
| Pvap | 56.00 | kPa | 459.27 | Calculated Property |
| Pvap | 88.77 | kPa | 474.16 | Calculated Property |
| Pvap | 136.12 | kPa | 489.05 | Calculated Property |
| Pvap | 202.65 | kPa | 503.94 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Butanediol, 3,3-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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