- InChI
- InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3
- InChI Key
- MXLMTQWGSQIYOW-UHFFFAOYSA-N
- Formula
- C5H12O
- SMILES
- CC(C)C(C)O
- Molecular Weight1
- 88.15
- CAS
- 598-75-4
- Other Names
-
- (.+/-.)-3-Methyl-2-butanol
- (CH3)2CHCH(OH)CH3
- 1,2-Dimethyl-1-propanol
- 1,2-Dimethylpropanol
- 2-Methyl-3-butanol
- 3-METHYL-2-BUTANOL
- 3-Methyl-butan-2-ol
- Butan-2-ol, 3-methyl-
- METHYLISOPROPYLCARBINOL
- NSC 71162
- SEC-ISOAMYL ALCOHOL
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- Cp,solid : Solid 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).
- ΔfH°liquid : Liquid phase 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).
- 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).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- S°gas : Molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| ΔcH°liquid | -3315.10 ± 0.63 | kJ/mol | NIST |
| ΔfG° | -150.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-316.40; -313.10] | kJ/mol |
|
| ΔfH°gas | -316.40 ± 1.80 | kJ/mol | NIST |
| ΔfH°gas | -313.10 | kJ/mol | NIST |
| ΔfH°liquid | [-369.90; -366.60] | kJ/mol |
|
| ΔfH°liquid | -369.90 ± 1.40 | kJ/mol | NIST |
| ΔfH°liquid | -366.60 ± 0.71 | kJ/mol | NIST |
| ΔfusH° | 5.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [51.60; 53.50] | kJ/mol |
|
| ΔvapH° | 53.03 | kJ/mol | NIST |
| ΔvapH° | 51.60 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 53.50 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 51.70 | kJ/mol | NIST |
| IE | [9.75; 10.01] | eV |
|
| IE | 9.75 ± 0.05 | eV | NIST |
| IE | 10.01 ± 0.07 | eV | NIST |
| log10WS | [-0.20; -0.18] |
|
|
| log10WS | -0.20 | Aq. Sol... | |
| log10WS | -0.18 | Estimat... | |
| logPoct/wat | 1.023 | Crippen Calculated Property | |
| McVol | 87.180 | ml/mol | McGowan Calculated Property |
| Pc | [3870.00; 3870.00] | kPa |
|
| Pc | 3870.00 | kPa | KDB |
| Pc | 3870.00 ± 20.00 | kPa | NIST |
| Pc | 3870.00 ± 40.00 | kPa | NIST |
| Inp | [646.00; 700.00] |
|
|
| Inp | 683.00 | NIST | |
| Inp | 683.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 683.00 | NIST | |
| Inp | 690.00 | NIST | |
| Inp | 699.00 | NIST | |
| Inp | 683.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 683.00 | NIST | |
| Inp | 690.00 | NIST | |
| Inp | 699.00 | NIST | |
| Inp | 683.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 656.00 | NIST | |
| Inp | 672.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 692.10 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | Outlier 646.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 692.10 | NIST | |
| Inp | 663.00 | NIST | |
| I | [1079.00; 1124.00] |
|
|
| I | 1108.00 | NIST | |
| I | 1100.00 | NIST | |
| I | 1094.00 | NIST | |
| I | 1108.00 | NIST | |
| I | 1100.00 | NIST | |
| I | 1094.00 | NIST | |
| I | 1090.00 | NIST | |
| I | Outlier 1124.00 | NIST | |
| I | 1079.00 | NIST | |
| I | 1094.00 | NIST | |
| I | 1118.00 | NIST | |
| I | 1083.00 | NIST | |
| I | 1089.00 | NIST | |
| I | 1100.00 | NIST | |
| I | 1089.00 | NIST | |
| I | 1091.00 | NIST | |
| I | 1089.00 | NIST | |
| I | 1094.00 | NIST | |
| I | 1083.00 | NIST | |
| S°gas | 388.60 ± 3.80 | J/mol×K | NIST |
| Tboil | [381.15; 388.15] | K |
|
| Tboil | 385.20 | K | NIST |
| Tboil | 383.15 ± 2.00 | K | NIST |
| Tboil | 382.15 ± 2.00 | K | NIST |
| Tboil | 388.15 ± 2.00 | K | NIST |
| Tboil | 385.55 ± 1.00 | K | NIST |
| Tboil | 384.65 ± 1.00 | K | NIST |
| Tboil | 384.95 ± 0.50 | K | NIST |
| Tboil | 385.00 ± 1.00 | K | NIST |
| Tboil | 386.65 ± 1.00 | K | NIST |
| Tboil | 386.05 ± 0.50 | K | NIST |
| Tboil | 386.15 ± 3.00 | K | NIST |
| Tboil | 385.15 ± 1.50 | K | NIST |
| Tboil | 384.65 ± 2.00 | K | NIST |
| Tboil | 384.55 ± 0.50 | K | NIST |
| Tboil | 385.20 ± 1.00 | K | NIST |
| Tboil | 383.90 ± 1.50 | K | NIST |
| Tboil | 383.20 ± 2.00 | K | NIST |
| Tboil | 387.15 ± 1.00 | K | NIST |
| Tboil | 386.05 ± 1.00 | K | NIST |
| Tboil | 386.55 ± 0.70 | K | NIST |
| Tboil | 386.65 ± 2.00 | K | NIST |
| Tboil | 386.15 ± 2.00 | K | NIST |
| Tboil | Outlier 381.15 ± 3.00 | K | NIST |
| Tc | [556.10; 556.10] | K |
|
| Tc | 556.10 | K | KDB |
| Tc | 556.10 ± 0.50 | K | NIST |
| Tc | 556.10 ± 0.70 | K | NIST |
| Tfus | 176.93 | K | Joback Calculated Property |
| Ttriple | 131.50 ± 0.70 | K | NIST |
| Vc | 0.323 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [169.84; 218.33] | J/mol×K | [405.10; 574.03] |
|
| Cp,gas | 169.84 | J/mol×K | 405.10 | Joback Calculated Property |
| Cp,gas | 178.73 | J/mol×K | 433.25 | Joback Calculated Property |
| Cp,gas | 187.29 | J/mol×K | 461.41 | Joback Calculated Property |
| Cp,gas | 195.52 | J/mol×K | 489.56 | Joback Calculated Property |
| Cp,gas | 203.43 | J/mol×K | 517.72 | Joback Calculated Property |
| Cp,gas | 211.03 | J/mol×K | 545.87 | Joback Calculated Property |
| Cp,gas | 218.33 | J/mol×K | 574.03 | Joback Calculated Property |
| Cp,liquid | 245.90 | J/mol×K | 298.15 | NIST |
| Cp,solid | [64.32; 107.45] | J/mol×K | [84.80; 129.14] |
|
| Cp,solid | 64.32 | J/mol×K | 84.80 | Heat Ca... |
| Cp,solid | 64.92 | J/mol×K | 85.35 | Heat Ca... |
| Cp,solid | 65.12 | J/mol×K | 86.61 | Heat Ca... |
| Cp,solid | 65.91 | J/mol×K | 87.96 | Heat Ca... |
| Cp,solid | 66.12 | J/mol×K | 88.50 | Heat Ca... |
| Cp,solid | 66.46 | J/mol×K | 88.57 | Heat Ca... |
| Cp,solid | 68.19 | J/mol×K | 89.76 | Heat Ca... |
| Cp,solid | 68.52 | J/mol×K | 90.50 | Heat Ca... |
| Cp,solid | 69.65 | J/mol×K | 91.72 | Heat Ca... |
| Cp,solid | 69.50 | J/mol×K | 92.44 | Heat Ca... |
| Cp,solid | 70.82 | J/mol×K | 93.66 | Heat Ca... |
| Cp,solid | 70.42 | J/mol×K | 94.37 | Heat Ca... |
| Cp,solid | 72.69 | J/mol×K | 95.60 | Heat Ca... |
| Cp,solid | 72.33 | J/mol×K | 96.30 | Heat Ca... |
| Cp,solid | 73.76 | J/mol×K | 97.54 | Heat Ca... |
| Cp,solid | 73.35 | J/mol×K | 98.24 | Heat Ca... |
| Cp,solid | 75.44 | J/mol×K | 99.48 | Heat Ca... |
| Cp,solid | 75.01 | J/mol×K | 100.17 | Heat Ca... |
| Cp,solid | 76.81 | J/mol×K | 101.42 | Heat Ca... |
| Cp,solid | 76.45 | J/mol×K | 102.11 | Heat Ca... |
| Cp,solid | 78.23 | J/mol×K | 103.37 | Heat Ca... |
| Cp,solid | 77.94 | J/mol×K | 104.06 | Heat Ca... |
| Cp,solid | 79.77 | J/mol×K | 105.32 | Heat Ca... |
| Cp,solid | 79.31 | J/mol×K | 106.00 | Heat Ca... |
| Cp,solid | 80.89 | J/mol×K | 107.95 | Heat Ca... |
| Cp,solid | 82.57 | J/mol×K | 109.90 | Heat Ca... |
| Cp,solid | 83.46 | J/mol×K | 110.42 | Heat Ca... |
| Cp,solid | 82.24 | J/mol×K | 110.85 | Heat Ca... |
| Cp,solid | 84.29 | J/mol×K | 111.85 | Heat Ca... |
| Cp,solid | 84.44 | J/mol×K | 112.07 | Heat Ca... |
| Cp,solid | 85.97 | J/mol×K | 113.80 | Heat Ca... |
| Cp,solid | 86.22 | J/mol×K | 114.04 | Heat Ca... |
| Cp,solid | 87.69 | J/mol×K | 115.76 | Heat Ca... |
| Cp,solid | 87.96 | J/mol×K | 116.00 | Heat Ca... |
| Cp,solid | 89.53 | J/mol×K | 117.71 | Heat Ca... |
| Cp,solid | 91.40 | J/mol×K | 119.67 | Heat Ca... |
| Cp,solid | 93.27 | J/mol×K | 121.44 | Heat Ca... |
| Cp,solid | 93.55 | J/mol×K | 121.62 | Heat Ca... |
| Cp,solid | 94.36 | J/mol×K | 122.07 | Heat Ca... |
| Cp,solid | 95.77 | J/mol×K | 123.27 | Heat Ca... |
| Cp,solid | 95.92 | J/mol×K | 123.58 | Heat Ca... |
| Cp,solid | 98.99 | J/mol×K | 125.24 | Heat Ca... |
| Cp,solid | 98.88 | J/mol×K | 125.53 | Heat Ca... |
| Cp,solid | 102.70 | J/mol×K | 127.20 | Heat Ca... |
| Cp,solid | 103.22 | J/mol×K | 127.49 | Heat Ca... |
| Cp,solid | 107.45 | J/mol×K | 129.14 | Heat Ca... |
| η | [0.0002739; 0.9991270] | Pa×s | [176.93; 405.10] |
|
| η | 0.9991270 | Pa×s | 176.93 | Joback Calculated Property |
| η | 0.0759974 | Pa×s | 214.96 | Joback Calculated Property |
| η | 0.0125411 | Pa×s | 252.99 | Joback Calculated Property |
| η | 0.0033141 | Pa×s | 291.01 | Joback Calculated Property |
| η | 0.0011912 | Pa×s | 329.04 | Joback Calculated Property |
| η | 0.0005293 | Pa×s | 367.07 | Joback Calculated Property |
| η | 0.0002739 | Pa×s | 405.10 | Joback Calculated Property |
| ΔvapH | [46.40; 52.70] | kJ/mol | [327.50; 341.00] |
|
| ΔvapH | 49.00 | kJ/mol | 327.50 | NIST |
| ΔvapH | 46.40 | kJ/mol | 339.00 | NIST |
| ΔvapH | 52.70 | kJ/mol | 341.00 | NIST |
| Pvap | [28.66; 99.33] | kPa | [352.84; 384.45] |
|
| Pvap | 28.66 | kPa | 352.84 | Vapor p... |
| Pvap | 32.00 | kPa | 355.33 | Vapor p... |
| Pvap | 35.33 | kPa | 357.63 | Vapor p... |
| Pvap | 38.66 | kPa | 359.76 | Vapor p... |
| Pvap | 42.00 | kPa | 361.74 | Vapor p... |
| Pvap | 45.33 | kPa | 363.60 | Vapor p... |
| Pvap | 49.33 | kPa | 365.69 | Vapor p... |
| Pvap | 53.33 | kPa | 367.65 | Vapor p... |
| Pvap | 57.33 | kPa | 369.50 | Vapor p... |
| Pvap | 61.33 | kPa | 371.24 | Vapor p... |
| Pvap | 65.33 | kPa | 372.90 | Vapor p... |
| Pvap | 70.66 | kPa | 374.99 | Vapor p... |
| Pvap | 75.99 | kPa | 376.95 | Vapor p... |
| Pvap | 81.33 | kPa | 378.81 | Vapor p... |
| Pvap | 86.66 | kPa | 380.58 | Vapor p... |
| Pvap | 91.99 | kPa | 382.26 | Vapor p... |
| Pvap | 97.33 | kPa | 383.87 | Vapor p... |
| Pvap | 99.33 | kPa | 384.45 | Vapor p... |
| n0 | 1.40700 | 298.15 | Vapor-L... | |
| ρl | [804.35; 813.09] | kg/m3 | [298.15; 308.15] |
|
| ρl | 813.09 | kg/m3 | 298.15 | Excess ... |
| ρl | 804.35 | kg/m3 | 308.15 | Excess ... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [299.51; 406.60] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40003e+01 | |||
| Coefficient B | -2.53974e+03 | |||
| Coefficient C | -1.14297e+02 | |||
| Temperature range, min. | 299.51 | |||
| Temperature range, max. | 406.60 | |||
| Pvap | 1.33 | kPa | 299.51 | Calculated Property |
| Pvap | 3.05 | kPa | 311.41 | Calculated Property |
| Pvap | 6.35 | kPa | 323.31 | Calculated Property |
| Pvap | 12.23 | kPa | 335.21 | Calculated Property |
| Pvap | 22.00 | kPa | 347.11 | Calculated Property |
| Pvap | 37.40 | kPa | 359.00 | Calculated Property |
| Pvap | 60.52 | kPa | 370.90 | Calculated Property |
| Pvap | 93.83 | kPa | 382.80 | Calculated Property |
| Pvap | 140.18 | kPa | 394.70 | Calculated Property |
| Pvap | 202.68 | kPa | 406.60 | Calculated Property |
| Pvap | [2.21e-07; 4000.46] | kPa | [188.00; 574.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 2.03416e+02 | |||
| Coefficient B | -1.39925e+04 | |||
| Coefficient C | -2.76617e+01 | |||
| Coefficient D | 1.51147e-05 | |||
| Temperature range, min. | 188.00 | |||
| Temperature range, max. | 574.00 | |||
| Pvap | 2.21e-07 | kPa | 188.00 | Calculated Property |
| Pvap | 9.94e-04 | kPa | 230.89 | Calculated Property |
| Pvap | 0.16 | kPa | 273.78 | Calculated Property |
| Pvap | 4.36 | kPa | 316.67 | Calculated Property |
| Pvap | 39.19 | kPa | 359.56 | Calculated Property |
| Pvap | 179.93 | kPa | 402.44 | Calculated Property |
| Pvap | 538.86 | kPa | 445.33 | Calculated Property |
| Pvap | 1225.82 | kPa | 488.22 | Calculated Property |
| Pvap | 2338.83 | kPa | 531.11 | Calculated Property |
| Pvap | 4000.46 | kPa | 574.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanol, 3-methyl-.
Mixtures
- n-Butyl ether + 2-Butanol, 3-methyl-
- 2-Butanol, 3-methyl- + Water
- Pentane, 2-methyl- + 2-Butanol, 3-methyl-
- 2-Butanone, 3-methyl- + 2-Butanol, 3-methyl-
- 2-Butanone, 3-methyl- + Pentane, 2-methyl- + 2-Butanol, 3-methyl-
- Carbon dioxide + 2-Butanol, 3-methyl-
Sources
- KDB Pure (Korean Thermophysical Properties Databank)
- KDB Vapor Pressure Data
- Crippen Method
- Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
- Measurement and modeling of high-pressure (vapor + liquid) equilibria of (CO2 + alkanol) binary systems
- Excess molar enthalpies of the binary systems: (Dibutyl ether + isomers of pentanol) at T = (298.15 and 308.15) K
- Vapor-Liquid Equilibria in the Binary and Ternary Systems Composed of 2-Methylpentane, 3-Methyl-2-butanone and 3-Methyl-2-butanol
- Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
- Temperature Dependence of Limiting Activity Coefficients, Henry s Law Constants, and Related Infinite Dilution Properties of Branched Pentanols in Water. Measurement, Critical Compilation, Correlation, and Recommended Data
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
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that the value is more than 2 standard deviations away from the
property mean.