- InChI
- InChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3
- InChI Key
- ZXNBBWHRUSXUFZ-UHFFFAOYSA-N
- Formula
- C6H14O
- SMILES
- CCC(C)C(C)O
- Molecular Weight1
- 102.17
- CAS
- 565-60-6
- Other Names
-
- 3-Methyl-2-pentanol
- 3-Methyl-4-pentanol
- 3-Methylpentan-2-ol
- 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° | -142.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.20 ± 0.30 | kJ/mol | NIST |
| log10WS | -0.72 | Aq. Sol... | |
| logPoct/wat | 1.413 | Crippen Calculated Property | |
| McVol | 101.270 | ml/mol | McGowan Calculated Property |
| Pc | 3517.91 | kPa | Joback Calculated Property |
| Inp | [754.00; 797.00] |
|
|
| Inp | 780.00 | NIST | |
| Inp | 780.80 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 754.00 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | 754.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 754.00 | NIST | |
| I | [1160.00; 1214.00] |
|
|
| I | 1212.00 | NIST | |
| I | 1214.00 | NIST | |
| I | 1160.00 | NIST | |
| I | 1160.00 | NIST | |
| I | 1202.00 | NIST | |
| I | 1160.00 | NIST | |
| Tboil | [405.15; 407.47] | K |
|
| Tboil | 405.70 | K | NIST |
| Tboil | 407.15 ± 2.00 | K | NIST |
| Tboil | 407.47 ± 0.20 | K | NIST |
| Tboil | 407.15 ± 1.00 | K | NIST |
| Tboil | 405.15 ± 3.00 | K | NIST |
| Tboil | 406.15 ± 2.00 | K | NIST |
| Tboil | 407.15 ± 2.00 | K | NIST |
| Tboil | 407.15 ± 2.00 | K | NIST |
| Tc | 596.11 | K | Joback Calculated Property |
| Tfus | 188.20 | K | Joback Calculated Property |
| Vc | 0.379 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.81; 262.76] | J/mol×K | [427.98; 596.11] |
|
| Cp,gas | 207.81 | J/mol×K | 427.98 | Joback Calculated Property |
| Cp,gas | 217.90 | J/mol×K | 456.00 | Joback Calculated Property |
| Cp,gas | 227.60 | J/mol×K | 484.02 | Joback Calculated Property |
| Cp,gas | 236.93 | J/mol×K | 512.04 | Joback Calculated Property |
| Cp,gas | 245.89 | J/mol×K | 540.06 | Joback Calculated Property |
| Cp,gas | 254.50 | J/mol×K | 568.09 | Joback Calculated Property |
| Cp,gas | 262.76 | J/mol×K | 596.11 | Joback Calculated Property |
| Cp,liquid | 275.89 | J/mol×K | 298.15 | NIST |
| η | [0.0002307; 0.6544822] | Pa×s | [188.20; 427.98] |
|
| η | 0.6544822 | Pa×s | 188.20 | Joback Calculated Property |
| η | 0.0545090 | Pa×s | 228.16 | Joback Calculated Property |
| η | 0.0095238 | Pa×s | 268.13 | Joback Calculated Property |
| η | 0.0026164 | Pa×s | 308.09 | Joback Calculated Property |
| η | 0.0009671 | Pa×s | 348.05 | Joback Calculated Property |
| η | 0.0004388 | Pa×s | 388.02 | Joback Calculated Property |
| η | 0.0002307 | Pa×s | 427.98 | Joback Calculated Property |
| ΔvapH | [54.40; 60.40] | kJ/mol | [275.00; 361.50] |
|
| ΔvapH | 60.40 | kJ/mol | 275.00 | NIST |
| ΔvapH | 54.80 | kJ/mol | 352.00 | NIST |
| ΔvapH | 54.40 | kJ/mol | 361.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [313.88; 430.01] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45458e+01 | |||
| Coefficient B | -3.04350e+03 | |||
| Coefficient C | -1.00427e+02 | |||
| Temperature range, min. | 313.88 | |||
| Temperature range, max. | 430.01 | |||
| Pvap | 1.33 | kPa | 313.88 | Calculated Property |
| Pvap | 3.00 | kPa | 326.78 | Calculated Property |
| Pvap | 6.20 | kPa | 339.69 | Calculated Property |
| Pvap | 11.90 | kPa | 352.59 | Calculated Property |
| Pvap | 21.41 | kPa | 365.49 | Calculated Property |
| Pvap | 36.48 | kPa | 378.40 | Calculated Property |
| Pvap | 59.29 | kPa | 391.30 | Calculated Property |
| Pvap | 92.47 | kPa | 404.20 | Calculated Property |
| Pvap | 139.09 | kPa | 417.11 | Calculated Property |
| Pvap | 202.64 | kPa | 430.01 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentanol, 3-methyl-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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