- InChI
- InChI=1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3
- InChI Key
- WFRBDWRZVBPBDO-UHFFFAOYSA-N
- Formula
- C6H14O
- SMILES
- CCCC(C)(C)O
- Molecular Weight1
- 102.17
- CAS
- 590-36-3
- Other Names
-
- 1,1-Dimethylbutanol
- 2-Hydroxy-2-methylpentane
- 2-Methyl-2-hydroxypentane
- 2-Methyl-2-pentanol
- 2-Methylpentan-2-ol
- Methyl-2 pentanol-2
- UN 2560
- dimethylpropylcarbinol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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° | [54.70; 54.82] | kJ/mol |
|
| ΔvapH° | 54.82 | kJ/mol | NIST |
| ΔvapH° | 54.70 ± 0.20 | kJ/mol | NIST |
| log10WS | [-0.49; -0.49] |
|
|
| log10WS | -0.49 | Aq. Sol... | |
| log10WS | -0.49 | Estimat... | |
| logPoct/wat | 1.557 | Crippen Calculated Property | |
| McVol | 101.270 | ml/mol | McGowan Calculated Property |
| Pc | 3530.46 | kPa | Joback Calculated Property |
| Inp | [688.80; 735.00] |
|
|
| Inp | Outlier 690.20 | NIST | |
| Inp | 723.00 | NIST | |
| Inp | Outlier 690.90 | NIST | |
| Inp | Outlier 692.00 | NIST | |
| Inp | 722.30 | NIST | |
| Inp | 723.40 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | 722.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 717.00 | NIST | |
| Inp | Outlier 688.80 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 716.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 722.00 | NIST | |
| Inp | 716.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 717.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 717.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 717.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 726.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 726.00 | NIST | |
| Inp | 724.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 719.00 | NIST | |
| Inp | 719.00 | NIST | |
| Inp | 725.00 | NIST | |
| Inp | 723.00 | NIST | |
| Inp | 725.00 | NIST | |
| I | [1079.00; 1114.00] |
|
|
| I | 1112.00 | NIST | |
| I | 1114.00 | NIST | |
| I | 1079.00 | NIST | |
| I | 1094.00 | NIST | |
| I | 1090.00 | NIST | |
| I | 1087.00 | NIST | |
| I | 1097.00 | NIST | |
| I | 1110.00 | NIST | |
| I | 1101.00 | NIST | |
| I | 1101.00 | NIST | |
| I | 1101.00 | NIST | |
| Tboil | [392.65; 397.15] | K |
|
| Tboil | 394.20 | K | NIST |
| Tboil | 394.20 | K | NIST |
| Tboil | 393.65 ± 2.00 | K | NIST |
| Tboil | 395.00 ± 2.00 | K | NIST |
| Tboil | 394.65 ± 2.00 | K | NIST |
| Tboil | 394.65 ± 1.00 | K | NIST |
| Tboil | 395.15 ± 2.00 | K | NIST |
| Tboil | 395.95 ± 1.00 | K | NIST |
| Tboil | 395.65 ± 1.00 | K | NIST |
| Tboil | 393.15 ± 2.00 | K | NIST |
| Tboil | 394.65 ± 2.00 | K | NIST |
| Tboil | 394.24 ± 0.20 | K | NIST |
| Tboil | 396.65 ± 4.00 | K | NIST |
| Tboil | Outlier 392.65 ± 4.00 | K | NIST |
| Tboil | 396.15 ± 2.00 | K | NIST |
| Tboil | 395.50 ± 1.00 | K | NIST |
| Tboil | 395.45 ± 2.00 | K | NIST |
| Tboil | 395.15 ± 1.00 | K | NIST |
| Tboil | 397.15 ± 1.00 | K | NIST |
| Tc | [559.50; 559.50] | K |
|
| Tc | 559.50 ± 0.70 | K | NIST |
| Tc | 559.50 | K | NIST |
| Tc | 559.50 ± 0.70 | K | NIST |
| Tfus | 170.48 | K | Aq. Sol... |
| 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 |
| Cp,liquid | 289.03 | J/mol×K | 298.15 | NIST |
| η | [0.0014600; 0.0029300] | Pa×s | [303.15; 323.15] |
|
| η | 0.0029300 | Pa×s | 303.15 | Density... |
| η | 0.0020600 | Pa×s | 313.15 | Density... |
| η | 0.0014600 | Pa×s | 323.15 | Density... |
| ΔvapH | [39.59; 58.30] | kJ/mol | [313.00; 394.20] |
|
| ΔvapH | 52.80 ± 0.20 | kJ/mol | 313.00 | NIST |
| ΔvapH | 50.70 ± 0.20 | kJ/mol | 328.00 | NIST |
| ΔvapH | 49.10 | kJ/mol | 331.00 | NIST |
| ΔvapH | 58.30 | kJ/mol | 342.00 | NIST |
| ΔvapH | 51.30 | kJ/mol | 342.00 | NIST |
| ΔvapH | 48.50 ± 0.20 | kJ/mol | 343.00 | NIST |
| ΔvapH | 46.10 ± 0.20 | kJ/mol | 358.00 | NIST |
| ΔvapH | 48.90 | kJ/mol | 363.50 | NIST |
| ΔvapH | 44.40 ± 0.20 | kJ/mol | 368.00 | NIST |
| ΔvapH | 44.20 | kJ/mol | 368.50 | NIST |
| ΔvapH | 39.59 | kJ/mol | 394.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [308.38; 416.93] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39479e+01 | |||
| Coefficient B | -2.54898e+03 | |||
| Coefficient C | -1.21783e+02 | |||
| Temperature range, min. | 308.38 | |||
| Temperature range, max. | 416.93 | |||
| Pvap | 1.33 | kPa | 308.38 | Calculated Property |
| Pvap | 3.06 | kPa | 320.44 | Calculated Property |
| Pvap | 6.37 | kPa | 332.50 | Calculated Property |
| Pvap | 12.26 | kPa | 344.56 | Calculated Property |
| Pvap | 22.06 | kPa | 356.62 | Calculated Property |
| Pvap | 37.49 | kPa | 368.69 | Calculated Property |
| Pvap | 60.63 | kPa | 380.75 | Calculated Property |
| Pvap | 93.96 | kPa | 392.81 | Calculated Property |
| Pvap | 140.27 | kPa | 404.87 | Calculated Property |
| Pvap | 202.66 | kPa | 416.93 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentanol, 2-methyl-.
Mixtures
Sources
- Crippen Method
- Measurement of activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-hexyl-1,4-diaza[2.2.2]bicyclooctanium bis(trifluoromethylsulfonyl)imide using gas-liquid chromatography
- Density and Viscosity Measurement of n-Butylamine with Hexyl Alcohol Isomer Binary Systems
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.