- InChI
- InChI=1S/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3
- InChI Key
- ISTJMQSHILQAEC-UHFFFAOYSA-N
- Formula
- C6H14O
- SMILES
- CCC(O)C(C)C
- Molecular Weight1
- 102.17
- CAS
- 565-67-3
- Other Names
-
- 2-Methyl-3-pentanol
- 2-methylpentan-3-ol
- 4-Methyl-3-pentanol
- Propanol, 1-isopropyl-
- Cp,gas : Ideal gas 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).
- 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 | -338.90 ± 2.20 | kJ/mol | NIST |
| ΔfH°liquid | -396.40 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 8.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.00 ± 0.50 | kJ/mol | NIST |
| log10WS | [-0.70; -0.70] |
|
|
| log10WS | -0.70 | Aq. Sol... | |
| log10WS | -0.70 | Estimat... | |
| logPoct/wat | 1.413 | Crippen Calculated Property | |
| McVol | 101.270 | ml/mol | McGowan Calculated Property |
| Pc | [3460.00; 3460.00] | kPa |
|
| Pc | 3460.00 ± 20.00 | kPa | NIST |
| Pc | 3460.00 ± 50.00 | kPa | NIST |
| Inp | [748.10; 805.00] |
|
|
| Inp | 748.10 | NIST | |
| Inp | 749.50 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 775.30 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | Outlier 805.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 755.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 775.30 | NIST | |
| Inp | 748.10 | NIST | |
| I | [1121.00; 1167.00] |
|
|
| I | 1121.00 | NIST | |
| I | 1167.00 | NIST | |
| I | 1121.00 | NIST | |
| I | 1121.00 | NIST | |
| Tboil | 427.98 | K | Joback Calculated Property |
| Tc | [576.00; 576.00] | K |
|
| Tc | 576.00 ± 0.50 | K | NIST |
| Tc | 576.00 ± 0.70 | K | NIST |
| 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 |
| 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 | [44.40; 52.20] | kJ/mol | [348.50; 371.00] |
|
| ΔvapH | 44.40 | kJ/mol | 348.50 | NIST |
| ΔvapH | 52.00 | kJ/mol | 349.50 | NIST |
| ΔvapH | 52.20 | kJ/mol | 354.00 | NIST |
| ΔvapH | 45.40 | kJ/mol | 371.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [307.11; 420.34] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46925e+01 | |||
| Coefficient B | -3.04560e+03 | |||
| Coefficient C | -9.56820e+01 | |||
| Temperature range, min. | 307.11 | |||
| Temperature range, max. | 420.34 | |||
| Pvap | 1.33 | kPa | 307.11 | Calculated Property |
| Pvap | 2.99 | kPa | 319.69 | Calculated Property |
| Pvap | 6.17 | kPa | 332.27 | Calculated Property |
| Pvap | 11.82 | kPa | 344.85 | Calculated Property |
| Pvap | 21.27 | kPa | 357.43 | Calculated Property |
| Pvap | 36.26 | kPa | 370.02 | Calculated Property |
| Pvap | 59.00 | kPa | 382.60 | Calculated Property |
| Pvap | 92.15 | kPa | 395.18 | Calculated Property |
| Pvap | 138.85 | kPa | 407.76 | Calculated Property |
| Pvap | 202.67 | kPa | 420.34 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentanol, 2-methyl-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
property mean.