- InChI
- InChI=1S/C7H16O/c1-6(2,3)7(4,5)8/h8H,1-5H3
- InChI Key
- OKXVARYIKDXAEO-UHFFFAOYSA-N
- Formula
- C7H16O
- SMILES
- CC(C)(C)C(C)(C)O
- Molecular Weight1
- 116.20
- CAS
- 594-83-2
- Other Names
-
- 2,3,3-Trimethyl-2-butanol
- 2-Butanol, 2,3,3-trimethyl-
- 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).
- 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).
- 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° | -123.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -357.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 3.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.26 | kJ/mol | Joback Calculated Property |
| log10WS | -0.72 | Aq. Sol... | |
| logPoct/wat | 1.803 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Pc | 3228.31 | kPa | Joback Calculated Property |
| Tboil | 445.28 | K | Joback Calculated Property |
| Tc | 625.83 | K | Joback Calculated Property |
| Tfus | 290.15 ± 1.50 | K | NIST |
| Vc | 0.424 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.88; 319.24] | J/mol×K | [445.28; 625.83] | 
|
| Cp,gas | 252.88 | J/mol×K | 445.28 | Joback Calculated Property |
| Cp,gas | 265.67 | J/mol×K | 475.37 | Joback Calculated Property |
| Cp,gas | 277.72 | J/mol×K | 505.46 | Joback Calculated Property |
| Cp,gas | 289.06 | J/mol×K | 535.55 | Joback Calculated Property |
| Cp,gas | 299.74 | J/mol×K | 565.64 | Joback Calculated Property |
| Cp,gas | 309.79 | J/mol×K | 595.74 | Joback Calculated Property |
| Cp,gas | 319.24 | J/mol×K | 625.83 | Joback Calculated Property |
| η | [0.0002329; 0.1416231] | Pa×s | [234.31; 445.28] |
|
| η | 0.1416231 | Pa×s | 234.31 | Joback Calculated Property |
| η | 0.0242330 | Pa×s | 269.47 | Joback Calculated Property |
| η | 0.0062327 | Pa×s | 304.63 | Joback Calculated Property |
| η | 0.0021232 | Pa×s | 339.79 | Joback Calculated Property |
| η | 0.0008852 | Pa×s | 374.96 | Joback Calculated Property |
| η | 0.0004288 | Pa×s | 410.12 | Joback Calculated Property |
| η | 0.0002329 | Pa×s | 445.28 | Joback Calculated Property |
| ΔvapH | 48.70 | kJ/mol | 330.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.18; 202.68] | kPa | [290.15; 422.55] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.73281e+01 | |||
| Coefficient B | -4.30672e+03 | |||
| Coefficient C | -6.41500e+01 | |||
| Temperature range, min. | 290.15 | |||
| Temperature range, max. | 422.55 | |||
| Pvap | 0.18 | kPa | 290.15 | Calculated Property |
| Pvap | 0.57 | kPa | 304.86 | Calculated Property |
| Pvap | 1.60 | kPa | 319.57 | Calculated Property |
| Pvap | 4.00 | kPa | 334.28 | Calculated Property |
| Pvap | 9.10 | kPa | 348.99 | Calculated Property |
| Pvap | 19.13 | kPa | 363.71 | Calculated Property |
| Pvap | 37.49 | kPa | 378.42 | Calculated Property |
| Pvap | 69.19 | kPa | 393.13 | Calculated Property |
| Pvap | 121.18 | kPa | 407.84 | Calculated Property |
| Pvap | 202.68 | kPa | 422.55 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethanol, pentamethyl-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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