- InChI
- InChI=1S/C6H14O/c1-4-6(2,3)5-7/h7H,4-5H2,1-3H3
- InChI Key
- XRMVWAKMXZNZIL-UHFFFAOYSA-N
- Formula
- C6H14O
- SMILES
- CCC(C)(C)CO
- Molecular Weight1
- 102.17
- CAS
- 1185-33-7
- Other Names
-
- 2,2-Dimethyl-1-butanol
- 2,2-Dimethylbutanol
- 2,2-dimethylbutan-1-ol
- 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).
- Inp : Non-polar retention indices.
- 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° | -134.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -328.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.33 | kJ/mol | Joback Calculated Property |
| log10WS | [-1.04; -1.04] |
|
|
| log10WS | -1.04 | Aq. Sol... | |
| log10WS | -1.04 | Estimat... | |
| logPoct/wat | 1.415 | Crippen Calculated Property | |
| McVol | 101.270 | ml/mol | McGowan Calculated Property |
| Pc | 3530.46 | kPa | Joback Calculated Property |
| Inp | [766.00; 790.30] |
|
|
| Inp | 789.20 | NIST | |
| Inp | 790.30 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 780.00 | NIST | |
| I | [1230.00; 1231.00] |
|
|
| I | 1230.00 | NIST | |
| I | 1231.00 | NIST | |
| I | 1230.00 | NIST | |
| Tboil | [406.65; 410.55] | K |
|
| Tboil | 409.15 ± 2.00 | K | NIST |
| Tboil | 409.85 ± 1.50 | K | NIST |
| Tboil | 409.15 ± 2.00 | K | NIST |
| Tboil | 410.55 ± 1.00 | K | NIST |
| Tboil | 407.65 ± 2.00 | K | NIST |
| Tboil | 409.65 ± 3.00 | K | NIST |
| Tboil | 408.50 ± 2.00 | K | NIST |
| Tboil | 409.65 ± 4.00 | K | NIST |
| Tboil | 408.15 ± 4.00 | K | NIST |
| Tboil | 406.65 ± 4.00 | K | NIST |
| Tboil | 406.65 ± 4.00 | K | NIST |
| Tboil | 408.15 ± 2.00 | K | NIST |
| Tc | 596.64 | K | Joback Calculated Property |
| Tfus | 220.62 | K | Joback Calculated Property |
| Vc | 0.380 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.01; 266.42] | J/mol×K | [425.63; 596.64] |
|
| Cp,gas | 210.01 | J/mol×K | 425.63 | Joback Calculated Property |
| Cp,gas | 220.61 | J/mol×K | 454.13 | Joback Calculated Property |
| Cp,gas | 230.71 | J/mol×K | 482.63 | Joback Calculated Property |
| Cp,gas | 240.32 | J/mol×K | 511.13 | Joback Calculated Property |
| Cp,gas | 249.46 | J/mol×K | 539.64 | Joback Calculated Property |
| Cp,gas | 258.15 | J/mol×K | 568.14 | Joback Calculated Property |
| Cp,gas | 266.42 | J/mol×K | 596.64 | Joback Calculated Property |
| η | [0.0002697; 0.1316325] | Pa×s | [220.62; 425.63] |
|
| η | 0.1316325 | Pa×s | 220.62 | Joback Calculated Property |
| η | 0.0234865 | Pa×s | 254.79 | Joback Calculated Property |
| η | 0.0062994 | Pa×s | 288.96 | Joback Calculated Property |
| η | 0.0022318 | Pa×s | 323.12 | Joback Calculated Property |
| η | 0.0009643 | Pa×s | 357.29 | Joback Calculated Property |
| η | 0.0004823 | Pa×s | 391.46 | Joback Calculated Property |
| η | 0.0002697 | Pa×s | 425.63 | Joback Calculated Property |
| ΔvapH | [47.20; 53.70] | kJ/mol | [353.00; 385.50] |
|
| ΔvapH | 52.10 | kJ/mol | 353.00 | NIST |
| ΔvapH | 53.70 | kJ/mol | 356.50 | NIST |
| ΔvapH | 47.20 | kJ/mol | 385.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [314.24; 432.55] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44019e+01 | |||
| Coefficient B | -3.02162e+03 | |||
| Coefficient C | -1.00154e+02 | |||
| Temperature range, min. | 314.24 | |||
| Temperature range, max. | 432.55 | |||
| Pvap | 1.33 | kPa | 314.24 | Calculated Property |
| Pvap | 3.02 | kPa | 327.39 | Calculated Property |
| Pvap | 6.24 | kPa | 340.53 | Calculated Property |
| Pvap | 11.98 | kPa | 353.68 | Calculated Property |
| Pvap | 21.56 | kPa | 366.82 | Calculated Property |
| Pvap | 36.72 | kPa | 379.97 | Calculated Property |
| Pvap | 59.61 | kPa | 393.11 | Calculated Property |
| Pvap | 92.83 | kPa | 406.26 | Calculated Property |
| Pvap | 139.38 | kPa | 419.40 | Calculated Property |
| Pvap | 202.66 | kPa | 432.55 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanol, 2,2-dimethyl-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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