- InChI
- InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3
- InChI Key
- PFNHSEQQEPMLNI-UHFFFAOYSA-N
- Formula
- C6H14O
- SMILES
- CCCC(C)CO
- Molecular Weight1
- 102.17
- CAS
- 105-30-6
- Other Names
-
- 2-Methyl-2-propylethanol
- 2-Methylpentanol
- 2-Methylpentanol-1
- 2-methyl-1-pentanol
- 2-methylpentan-1-ol
- 2-methylpentyl alcohol
- AMYL METHYL ALCOHOL
- ISOPROPYL DIMETHYL CARBINOL
- Isohexyl alcohol
- M.I.B.C.
- Methyl-2 pentanol-1
- ω : Acentric Factor.
- 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).
- 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).
- Inp : Non-polar retention indices.
- Ip : 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 |
|---|---|---|---|
| ω | 0.7262 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ΔfG° | -139.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -319.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.40 ± 0.30 | kJ/mol | NIST |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | [-1.11; -1.11] |
|
|
| log10WS | -1.11 | Aq. Solubility Prediction | |
| log10WS | -1.11 | Estimated Solubility | |
| logPoct/wat | 1.415 | Crippen Calculated Property | |
| McVol | 101.270 | ml/mol | McGowan Calculated Property |
| Pc | [3400.47; 3450.00] | kPa |
|
| Pc | 3450.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value |
| Pc | 3400.47 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 3450.00 | kPa | KDB |
| Pc | 3450.00 ± 20.00 | kPa | NIST |
| Pc | 3450.00 ± 50.00 | kPa | NIST |
| Inp | [132.61; 846.00] |
|
|
| Inp | 836.20 | NIST | |
| Inp | 837.50 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 798.00 | NIST | |
| Inp | 803.00 | NIST | |
| Inp | 824.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 831.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 826.00 | NIST | |
| Inp | 827.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 843.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 824.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 824.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 824.00 | NIST | |
| Inp | 824.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 813.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | Outlier 132.61 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 824.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 843.00 | NIST | |
| Inp | 831.00 | NIST | |
| Ip | [1247.00; 1337.00] |
|
|
| Ip | 1312.00 | NIST | |
| Ip | 1320.00 | NIST | |
| Ip | 1293.00 | NIST | |
| Ip | 1288.00 | NIST | |
| Ip | 1284.00 | NIST | |
| Ip | 1297.00 | NIST | |
| Ip | 1268.00 | NIST | |
| Ip | 1337.00 | NIST | |
| Ip | 1247.00 | NIST | |
| Tboil | [400.65; 422.65] | K |
|
| Tboil | 421.20 | K | NIST |
| Tboil | 421.15 | K | NIST |
| Tboil | 419.15 ± 2.00 | K | NIST |
| Tboil | 422.15 ± 2.00 | K | NIST |
| Tboil | 422.65 ± 2.00 | K | NIST |
| Tboil | 421.15 ± 32.00 | K | NIST |
| Tboil | 421.05 ± 1.00 | K | NIST |
| Tboil | 421.15 ± 2.00 | K | NIST |
| Tboil | 421.15 ± 2.00 | K | NIST |
| Tboil | 421.00 ± 3.00 | K | NIST |
| Tboil | 421.08 ± 0.20 | K | NIST |
| Tboil | 418.65 ± 2.00 | K | NIST |
| Tboil | 419.15 ± 2.00 | K | NIST |
| Tboil | Outlier 400.65 ± 3.00 | K | NIST |
| Tboil | 419.65 ± 2.00 | K | NIST |
| Tboil | 421.15 ± 2.00 | K | NIST |
| Tboil | 419.15 ± 2.00 | K | NIST |
| Tboil | 420.40 ± 1.00 | K | NIST |
| Tboil | 421.15 ± 0.50 | K | NIST |
| Tboil | 421.15 ± 2.00 | K | NIST |
| Tboil | 419.65 ± 2.00 | K | NIST |
| Tboil | 419.65 ± 2.00 | K | NIST |
| Tc | [582.00; 604.40] | K |
|
| Tc | 604.40 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value |
| Tc | Outlier 582.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 604.40 | K | KDB |
| Tc | 604.40 ± 0.50 | K | NIST |
| Tc | 604.40 ± 0.70 | K | NIST |
| Tfus | 168.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.380 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [247.63; 249.21] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 249.21 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 247.63 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 248.40 | J/mol×K | 298.15 | NIST |
| η | [0.0022500; 0.0045500] | Pa×s | [303.15; 323.15] |
|
| η | 0.0045500 | Pa×s | 303.15 | Density and Viscosity Measurement of n-Butylamine with Hexyl Alcohol Isomer Binary Systems |
| η | 0.0031800 | Pa×s | 313.15 | Density and Viscosity Measurement of n-Butylamine with Hexyl Alcohol Isomer Binary Systems |
| η | 0.0022500 | Pa×s | 323.15 | Density and Viscosity Measurement of n-Butylamine with Hexyl Alcohol Isomer Binary Systems |
| ΔvapH | [49.30; 64.90] | kJ/mol | [277.50; 395.00] |
|
| ΔvapH | 64.90 | kJ/mol | 277.50 | NIST |
| ΔvapH | 57.40 ± 0.20 | kJ/mol | 328.00 | NIST |
| ΔvapH | 55.70 ± 0.20 | kJ/mol | 343.00 | NIST |
| ΔvapH | 50.20 | kJ/mol | 355.50 | NIST |
| ΔvapH | 53.90 ± 0.20 | kJ/mol | 358.00 | NIST |
| ΔvapH | 54.20 | kJ/mol | 360.50 | NIST |
| ΔvapH | 52.70 ± 0.20 | kJ/mol | 368.00 | NIST |
| ΔvapH | 49.30 | kJ/mol | 395.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.95; 348.08] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.04300e+00 | |||
| Coefficient B | 6.13740e-01 | |||
| Coefficient C | -3.36200e-04 | |||
| Coefficient D | 6.95000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 144.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 179.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 209.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 237.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 262.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 283.99 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 303.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 320.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 335.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 348.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [320.82; 444.44] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.61826e+01 | |||
| Coefficient B | -4.25182e+03 | |||
| Coefficient C | -5.33290e+01 | |||
| Temperature range, min. | 320.82 | |||
| Temperature range, max. | 444.44 | |||
| Pvap | 1.33 | kPa | 320.82 | Calculated Property |
| Pvap | 2.90 | kPa | 334.56 | Calculated Property |
| Pvap | 5.86 | kPa | 348.29 | Calculated Property |
| Pvap | 11.12 | kPa | 362.03 | Calculated Property |
| Pvap | 20.00 | kPa | 375.76 | Calculated Property |
| Pvap | 34.28 | kPa | 389.50 | Calculated Property |
| Pvap | 56.33 | kPa | 403.23 | Calculated Property |
| Pvap | 89.14 | kPa | 416.97 | Calculated Property |
| Pvap | 136.42 | kPa | 430.70 | Calculated Property |
| Pvap | 202.64 | kPa | 444.44 | Calculated Property |
| Pvap | [1.42e-04; 3366.14] | kPa | [223.00; 582.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 5.09496e+01 | |||
| Coefficient B | -7.82259e+03 | |||
| Coefficient C | -4.56500e+00 | |||
| Coefficient D | -9.57195e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 223.00 | |||
| Temperature range, max. | 582.00 | |||
| Pvap | 1.42e-04 | kPa | 223.00 | Calculated Property |
| Pvap | 0.01 | kPa | 262.89 | Calculated Property |
| Pvap | 0.35 | kPa | 302.78 | Calculated Property |
| Pvap | 3.91 | kPa | 342.67 | Calculated Property |
| Pvap | 24.87 | kPa | 382.56 | Calculated Property |
| Pvap | 105.75 | kPa | 422.44 | Calculated Property |
| Pvap | 334.62 | kPa | 462.33 | Calculated Property |
| Pvap | 847.46 | kPa | 502.22 | Calculated Property |
| Pvap | 1807.26 | kPa | 542.11 | Calculated Property |
| Pvap | 3366.14 | kPa | 582.00 | Calculated Property |
| Pvap | [0.30; 109.22] | kPa | [298.00; 423.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.88766e+01 | |||
| Coefficient B | -6.04462e+03 | |||
| Coefficient C | 3.18100e+00 | |||
| Reference | Hovorka, Lankelma, et al., 1938 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 423.00 | |||
| Pvap | 0.30 | kPa | 298.00 | Calculated Property |
| Pvap | 0.73 | kPa | 311.89 | Calculated Property |
| Pvap | 1.65 | kPa | 325.78 | Calculated Property |
| Pvap | 3.48 | kPa | 339.67 | Calculated Property |
| Pvap | 6.91 | kPa | 353.56 | Calculated Property |
| Pvap | 13.03 | kPa | 367.44 | Calculated Property |
| Pvap | 23.49 | kPa | 381.33 | Calculated Property |
| Pvap | 40.63 | kPa | 395.22 | Calculated Property |
| Pvap | 67.73 | kPa | 409.11 | Calculated Property |
| Pvap | 109.22 | kPa | 423.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pentanol, 2-methyl-.
Mixtures
- 1-Butanamine + 1-Pentanol, 2-methyl-
- Anthracene + 1-Pentanol, 2-methyl-
- Acetonitrile + Anthracene + 1-Pentanol, 2-methyl-
Sources
- KDB Vapor Pressure Data
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 ChEDL chemicals 1.5.2, from Gude, M.; Teja, A. S. Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols. J. Chem. Eng. Data 1995, 40, 1025-1036.
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Solubility in Binary Solvent Mixtures: Anthracene Dissolved in Alcohol + Acetonitrile Mixtures at 298.2 K
- Density and Viscosity Measurement of n-Butylamine with Hexyl Alcohol Isomer Binary Systems
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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