- InChI
- InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3
- InChI Key
- WVYWICLMDOOCFB-UHFFFAOYSA-N
- Formula
- C6H14O
- SMILES
- CC(C)CC(C)O
- Molecular Weight1
- 102.17
- CAS
- 108-11-2
- Other Names
-
- (.+/-.)-4-Methyl-2-pentanol
- 1,3-Dimethyl-1-butanol
- 1,3-Dimethylbutanol
- 2-Methyl-4-Pentanol
- 3-MIC
- 4-Methyl-2-amyl alcohol
- 4-Methyl-2-pentyl alcohol
- 4-Methylpentan-2-ol
- 4-Methylpentanol-2
- 4-Metilpentan-2-olo
- 4-Pentanol, 2-methyl-
- 4-methyl-2-pentanol
- Alcool methyl amylique
- Isobutylmethylcarbinol
- Isobutylmethylmethanol
- MAOH
- MIBC
- MIC
- Methyl amyl alcohol
- Methyl-isobutylkarbinol
- Metilamil alcohol
- NSC 9384
- UN 2053
- dl-Methylisobutylcarbinol
- methylisobutylcarbinol
- 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).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.5432 | Relay (1.0) Calculated Property | |
| ΔfG° | -142.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -344.10 ± 2.10 | kJ/mol | NIST |
| ΔfH°liquid | -394.70 ± 0.75 | kJ/mol | NIST |
| ΔfusH° | 8.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.30 ± 0.30 | kJ/mol | NIST |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | [-0.80; -0.80] |
|
|
| log10WS | -0.80 | Aq. Solubility Prediction | |
| log10WS | -0.80 | Estimated Solubility | |
| logPoct/wat | 1.413 | Crippen Calculated Property | |
| McVol | 101.270 | ml/mol | McGowan Calculated Property |
| Pc | 3517.91 | kPa | Joback Calculated Property |
| Inp | [729.00; 790.00] |
|
|
| Inp | 774.40 | NIST | |
| Inp | 775.50 | NIST | |
| Inp | 729.00 | NIST | |
| Inp | 736.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 759.40 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 737.00 | NIST | |
| Inp | 737.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | Outlier 790.00 | NIST | |
| Inp | 748.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 744.00 | NIST | |
| I | [1163.00; 1204.00] |
|
|
| I | Outlier 1203.00 | NIST | |
| I | Outlier 1204.00 | NIST | |
| I | 1167.00 | NIST | |
| I | 1173.00 | NIST | |
| I | 1171.00 | NIST | |
| I | 1172.00 | NIST | |
| I | 1167.00 | NIST | |
| I | 1170.00 | NIST | |
| I | 1168.00 | NIST | |
| I | 1168.00 | NIST | |
| I | 1168.00 | NIST | |
| I | 1173.00 | NIST | |
| I | 1163.00 | NIST | |
| I | 1163.00 | NIST | |
| I | 1163.00 | NIST | |
| I | 1165.00 | NIST | |
| I | 1165.00 | NIST | |
| I | 1181.00 | NIST | |
| I | 1167.00 | NIST | |
| Tboil | [401.65; 422.05] | K |
|
| Tboil | 404.80 | K | KDB |
| Tboil | 406.20 | K | NIST |
| Tboil | 404.95 | K | NIST |
| Tboil | 403.90 ± 2.00 | K | NIST |
| Tboil | 402.15 ± 3.00 | K | NIST |
| Tboil | 404.95 | K | NIST |
| Tboil | 404.40 ± 1.00 | K | NIST |
| Tboil | 404.15 ± 2.00 | K | NIST |
| Tboil | 405.15 ± 2.00 | K | NIST |
| Tboil | 403.65 ± 1.50 | K | NIST |
| Tboil | 405.15 ± 1.00 | K | NIST |
| Tboil | 403.15 ± 2.00 | K | NIST |
| Tboil | 404.75 ± 1.00 | K | NIST |
| Tboil | 403.90 ± 1.00 | K | NIST |
| Tboil | 404.90 ± 1.00 | K | NIST |
| Tboil | 406.15 ± 2.00 | K | NIST |
| Tboil | 403.65 ± 3.00 | K | NIST |
| Tboil | 402.65 ± 3.00 | K | NIST |
| Tboil | 402.15 ± 3.00 | K | NIST |
| Tboil | 409.15 ± 3.00 | K | NIST |
| Tboil | 404.85 ± 1.00 | K | NIST |
| Tboil | 404.75 ± 1.00 | K | NIST |
| Tboil | 408.15 ± 3.00 | K | NIST |
| Tboil | 403.15 ± 2.00 | K | NIST |
| Tboil | 402.15 ± 3.00 | K | NIST |
| Tboil | Outlier 422.05 | K | NIST |
| Tboil | 410.15 ± 4.00 | K | NIST |
| Tboil | 403.15 ± 4.00 | K | NIST |
| Tboil | 403.15 ± 2.00 | K | NIST |
| Tboil | 405.00 ± 0.10 | K | NIST |
| Tboil | 404.97 ± 0.20 | K | NIST |
| Tboil | 404.15 ± 2.00 | K | NIST |
| Tboil | 403.65 ± 2.00 | K | NIST |
| Tboil | 403.65 ± 2.00 | K | NIST |
| Tboil | 401.65 ± 5.00 | K | NIST |
| Tboil | 403.65 ± 2.00 | K | NIST |
| Tboil | 407.00 ± 8.00 | K | NIST |
| Tboil | 409.15 ± 3.00 | K | NIST |
| Tc | [574.40; 574.40] | K |
|
| Tc | 574.40 | K | KDB |
| Tc | 574.40 ± 0.50 | K | NIST |
| Tc | 574.40 ± 0.50 | K | NIST |
| Tfus | 183.00 | K | KDB |
| Vc | 0.373 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.88; 262.84] | J/mol×K | [428.18; 596.39] |
|
| Cp,gas | 207.88 | J/mol×K | 428.18 | Joback Calculated Property |
| Cp,gas | 217.97 | J/mol×K | 456.21 | Joback Calculated Property |
| Cp,gas | 227.68 | J/mol×K | 484.25 | Joback Calculated Property |
| Cp,gas | 237.01 | J/mol×K | 512.28 | Joback Calculated Property |
| Cp,gas | 245.97 | J/mol×K | 540.32 | Joback Calculated Property |
| Cp,gas | 254.58 | J/mol×K | 568.35 | Joback Calculated Property |
| Cp,gas | 262.84 | J/mol×K | 596.39 | Joback Calculated Property |
| Cp,liquid | [272.34; 273.01] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 272.34 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 273.01 | J/mol×K | 298.15 | NIST |
| η | [0.0015500; 0.0032300] | Pa×s | [303.15; 323.15] |
|
| η | 0.0032300 | Pa×s | 303.15 | Density and Viscosity Measurement of n-Butylamine with Hexyl Alcohol Isomer Binary Systems |
| η | 0.0022400 | Pa×s | 313.15 | Density and Viscosity Measurement of n-Butylamine with Hexyl Alcohol Isomer Binary Systems |
| η | 0.0015500 | Pa×s | 323.15 | Density and Viscosity Measurement of n-Butylamine with Hexyl Alcohol Isomer Binary Systems |
| ΔvapH | [45.60; 59.60] | kJ/mol | [267.50; 378.50] |
|
| ΔvapH | 59.60 | kJ/mol | 267.50 | NIST |
| ΔvapH | 49.60 | kJ/mol | 349.50 | NIST |
| ΔvapH | 45.60 | kJ/mol | 350.50 | NIST |
| ΔvapH | 47.30 | kJ/mol | 378.50 | NIST |
| n0 | 1.41010 | 298.20 | Experimental and modeling study of liquid phase equilibria for (water + phosphoric acid + sec-alcohols) systems | |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [305.24; 428.94] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.53762e+01 | |||
| Coefficient B | -3.73911e+03 | |||
| Coefficient C | -5.74310e+01 | |||
| Temperature range, min. | 305.24 | |||
| Temperature range, max. | 428.94 | |||
| Pvap | 1.33 | kPa | 305.24 | Calculated Property |
| Pvap | 2.95 | kPa | 318.98 | Calculated Property |
| Pvap | 6.01 | kPa | 332.73 | Calculated Property |
| Pvap | 11.47 | kPa | 346.47 | Calculated Property |
| Pvap | 20.64 | kPa | 360.22 | Calculated Property |
| Pvap | 35.29 | kPa | 373.96 | Calculated Property |
| Pvap | 57.69 | kPa | 387.71 | Calculated Property |
| Pvap | 90.68 | kPa | 401.45 | Calculated Property |
| Pvap | 137.68 | kPa | 415.20 | Calculated Property |
| Pvap | 202.67 | kPa | 428.94 | Calculated Property |
| Pvap | [5.39e-07; 3497.19] | kPa | [183.00; 574.40] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.02379e+02 | |||
| Coefficient B | -9.41712e+03 | |||
| Coefficient C | -1.25868e+01 | |||
| Coefficient D | 6.49625e-06 | |||
| Temperature range, min. | 183.00 | |||
| Temperature range, max. | 574.40 | |||
| Pvap | 5.39e-07 | kPa | 183.00 | Calculated Property |
| Pvap | 8.08e-04 | kPa | 226.49 | Calculated Property |
| Pvap | 0.08 | kPa | 269.98 | Calculated Property |
| Pvap | 1.88 | kPa | 313.47 | Calculated Property |
| Pvap | 17.20 | kPa | 356.96 | Calculated Property |
| Pvap | 87.95 | kPa | 400.44 | Calculated Property |
| Pvap | 305.34 | kPa | 443.93 | Calculated Property |
| Pvap | 813.13 | kPa | 487.42 | Calculated Property |
| Pvap | 1799.87 | kPa | 530.91 | Calculated Property |
| Pvap | 3497.19 | kPa | 574.40 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentanol, 4-methyl-.
Mixtures
- 2-Propyn-1-ol + 2-Pentanol, 4-methyl- + Water
- 2-Pentanol, 4-methyl- + Water
- Furfural + 2-Pentanol, 4-methyl- + Water
- 2-Pentanol, 4-methyl- + Water + Phosphoric Acid
- 1-Butanamine + 2-Pentanol, 4-methyl-
- 2-Pentanol, 4-methyl- + Methane, dimethoxy- + Water
- 2-Pentanol, 4-methyl- + Ethanol, 2,2'-oxybis- + Water
- Cyclohexanol + 2-Pentanol, 4-methyl- + Water
- 2-Pentanol, 4-methyl- + N,N-Dimethylacetamide + Water
- Anthracene + 2-Pentanol, 4-methyl-
- Acetonitrile + Anthracene + 2-Pentanol, 4-methyl-
- 2-Pentanol, 4-methyl- + 2,3-Butanediol + Water
- 2,3-Butanediol, [S-(R*,R*)]- + 2-Pentanol, 4-methyl- + Water
- 2-Pentanol, 4-methyl- + Cyclohexanone + Water
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Liquid-liquid equilibria for the extraction of furfural from aqueous solution using different solvents
- Liquid-liquid equilibrium study for ternary systems of water + propargyl alcohol + solvents at 308.2 K: Measurement and thermodynamic modelling
- Experimental and modeling study of liquid phase equilibria for (water + phosphoric acid + sec-alcohols) systems
- Liquid Liquid Equilibria for the Ternary Systems of Water + Butane-2,3-diol + 2-Methylbutan-1-ol, 2-Ethylbutan-1-ol, and 4-Methylpentan-2-ol at 298.15 and 308.15 K
- Measurement and Thermodynamic Modeling of Ternary (Liquid + Liquid) Equilibrium for Extraction of N,N-Dimethylacetamide from Aqueous Solution with Different Solvents
- Liquid-Liquid Equilibrium in the Ternary Systems Water + Cyclohexanone + Benzene or Methyl Isobutyl Carbinol at 303.15 and 323.15 K: Experimental Data and Correlation
- Liquid-Liquid Equilibria for the Ternary Systems Water + Cyclohexanol + Methyl Isobutyl Carbinol and Water + Cyclohexanol + Methyl Isobutyl Ketone at Different Temperatures
- Measurement and Thermodynamic Models for Ternary Liquid-Liquid Equilibrium Systems {Water + Polyoxymethylene Dimethyl Ethers +4-Methyl-2-pentanol} at Different Temperatures
- Liquid-Liquid Equilibrium Measurements for the Ternary System of Water/2,3-Butanediol/4-Methyl-2-pentanol at Various Temperatures
- 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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