- 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
- 102.18
- CAS
- 565-67-3
- Other Names
-
- 2-Methyl-3-pentanol
- 2-methylpentan-3-ol
- 4-Methyl-3-pentanol
- Propanol, 1-isopropyl-
- ω : Acentric Factor.
- 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).
- 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.
- 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 | 0.5422 | Relay (1.0) Calculated Property | |
| 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 |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | [-0.70; -0.70] |
|
|
| log10WS | -0.70 | Aq. Solubility Prediction | |
| log10WS | -0.70 | Estimated Solubility | |
| 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 | 748.10 | NIST | |
| Inp | 775.30 | NIST | |
| I | [1121.00; 1167.00] |
|
|
| I | 1121.00 | NIST | |
| I | 1167.00 | NIST | |
| I | 1121.00 | NIST | |
| I | 1121.00 | NIST | |
| Tboil | [385.65; 402.65] | K |
|
| Tboil | 401.20 | K | NIST |
| Tboil | 394.65 ± 3.00 | K | NIST |
| Tboil | 399.85 ± 1.00 | K | NIST |
| Tboil | 399.95 ± 1.00 | K | NIST |
| Tboil | 399.15 ± 3.00 | K | NIST |
| Tboil | 400.15 ± 2.00 | K | NIST |
| Tboil | 402.65 ± 3.00 | K | NIST |
| Tboil | 397.15 ± 4.00 | K | NIST |
| Tboil | 399.15 ± 3.00 | K | NIST |
| Tboil | 401.15 ± 3.00 | K | NIST |
| Tboil | Outlier 385.65 ± 5.00 | K | NIST |
| Tc | [576.00; 576.00] | K |
|
| Tc | 576.00 ± 0.50 | K | NIST |
| Tc | 576.00 ± 0.70 | K | NIST |
| Tfus | 224.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.373 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|
| Cp,gas | [144.64; 348.62] | 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 | -6.39000e-01 | |||
| Coefficient B | 6.19660e-01 | |||
| Coefficient C | -3.39400e-04 | |||
| Coefficient D | 6.90000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 144.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 179.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 210.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 238.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 262.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 284.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 304.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 320.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 335.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 348.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.6544822; 0.0003386] | Pa×s | [188.20; 403.20] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.46143e+01 | |||
| Coefficient B | 2.67063e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 188.20 | |||
| Temperature range, max. | 403.20 | |||
| η | 0.6544822 | Pa×s | 188.20 | Calculated Property |
| η | 0.1323558 | Pa×s | 212.09 | Calculated Property |
| η | 0.0369940 | Pa×s | 235.98 | Calculated Property |
| η | 0.0130709 | Pa×s | 259.87 | Calculated Property |
| η | 0.0055024 | Pa×s | 283.76 | Calculated Property |
| η | 0.0026495 | Pa×s | 307.64 | Calculated Property |
| η | 0.0014174 | Pa×s | 331.53 | Calculated Property |
| η | 0.0008248 | Pa×s | 355.42 | Calculated Property |
| η | 0.0005139 | Pa×s | 379.31 | Calculated Property |
| η | 0.0003386 | Pa×s | 403.20 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [307.11; 420.34] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Cheméo Relay (1.0)
- 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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