- InChI
- InChI=1S/C7H16O/c1-5(2)7(8)6(3)4/h5-8H,1-4H3
- InChI Key
- BAYAKMPRFGNNFW-UHFFFAOYSA-N
- Formula
- C7H16O
- SMILES
- CC(C)C(O)C(C)C
- Molecular Weight1
- 116.20
- CAS
- 600-36-2
- Other Names
-
- 2,4-Dimethyl-3-hydroxypentane
- 2,4-Dimethyl-3-pentanol
- 2,4-dimethylpentan-3-ol
- Diisopropylcarbinol
- Diisopropylmethanol
- 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).
- 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° | -136.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -355.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.69 | kJ/mol | Joback Calculated Property |
| log10WS | [-1.22; -1.22] |
|
|
| log10WS | -1.22 | Aq. Sol... | |
| log10WS | -1.22 | Estimat... | |
| logPoct/wat | 1.659 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Pc | 3177.55 | kPa | Joback Calculated Property |
| Inp | [132.11; 838.00] |
|
|
| Inp | 820.00 | NIST | |
| Inp | 831.00 | NIST | |
| Inp | 827.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 828.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 828.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | Outlier 132.11 | NIST | |
| Inp | Outlier 132.11 | NIST | |
| I | [1157.00; 1220.00] |
|
|
| I | 1220.00 | NIST | |
| I | 1157.00 | NIST | |
| I | 1157.00 | NIST | |
| I | 1187.00 | NIST | |
| I | 1157.00 | NIST | |
| I | 1220.00 | NIST | |
| Tboil | [404.65; 418.15] | K |
|
| Tboil | 411.90 | K | NIST |
| Tboil | 408.15 ± 3.00 | K | NIST |
| Tboil | 412.15 ± 3.00 | K | NIST |
| Tboil | 410.65 ± 1.50 | K | NIST |
| Tboil | 411.75 ± 1.00 | K | NIST |
| Tboil | 412.65 ± 3.00 | K | NIST |
| Tboil | 412.05 ± 1.00 | K | NIST |
| Tboil | 409.65 ± 2.00 | K | NIST |
| Tboil | 413.15 ± 3.00 | K | NIST |
| Tboil | 411.80 ± 1.00 | K | NIST |
| Tboil | 412.15 ± 3.00 | K | NIST |
| Tboil | 409.15 ± 3.00 | K | NIST |
| Tboil | 411.65 ± 3.00 | K | NIST |
| Tboil | 412.15 ± 5.00 | K | NIST |
| Tboil | Outlier 418.15 ± 5.00 | K | NIST |
| Tboil | 410.65 ± 3.00 | K | NIST |
| Tboil | 413.15 ± 3.00 | K | NIST |
| Tboil | Outlier 404.65 ± 3.00 | K | NIST |
| Tc | 621.17 | K | Joback Calculated Property |
| Tfus | 260.70 | K | Calorim... |
| Vc | 0.428 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.14; 310.46] | J/mol×K | [450.42; 621.17] |
|
| Cp,gas | 248.14 | J/mol×K | 450.42 | Joback Calculated Property |
| Cp,gas | 259.63 | J/mol×K | 478.88 | Joback Calculated Property |
| Cp,gas | 270.66 | J/mol×K | 507.34 | Joback Calculated Property |
| Cp,gas | 281.25 | J/mol×K | 535.79 | Joback Calculated Property |
| Cp,gas | 291.41 | J/mol×K | 564.25 | Joback Calculated Property |
| Cp,gas | 301.14 | J/mol×K | 592.71 | Joback Calculated Property |
| Cp,gas | 310.46 | J/mol×K | 621.17 | Joback Calculated Property |
| η | [0.0001848; 1.4537054] | Pa×s | [184.47; 450.42] |
|
| η | 1.4537054 | Pa×s | 184.47 | Joback Calculated Property |
| η | 0.0765956 | Pa×s | 228.79 | Joback Calculated Property |
| η | 0.0104915 | Pa×s | 273.12 | Joback Calculated Property |
| η | 0.0025037 | Pa×s | 317.44 | Joback Calculated Property |
| η | 0.0008488 | Pa×s | 361.77 | Joback Calculated Property |
| η | 0.0003644 | Pa×s | 406.09 | Joback Calculated Property |
| η | 0.0001848 | Pa×s | 450.42 | Joback Calculated Property |
| ΔvapH | [45.70; 53.60] | kJ/mol | [328.00; 359.50] |
|
| ΔvapH | 51.80 | kJ/mol | 328.00 | NIST |
| ΔvapH | 48.80 | kJ/mol | 343.00 | NIST |
| ΔvapH | 45.70 | kJ/mol | 358.00 | NIST |
| ΔvapH | 53.60 | kJ/mol | 359.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [314.44; 433.82] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.58493e+01 | |||
| Coefficient B | -3.89667e+03 | |||
| Coefficient C | -6.40440e+01 | |||
| Temperature range, min. | 314.44 | |||
| Temperature range, max. | 433.82 | |||
| Pvap | 1.33 | kPa | 314.44 | Calculated Property |
| Pvap | 2.92 | kPa | 327.70 | Calculated Property |
| Pvap | 5.92 | kPa | 340.97 | Calculated Property |
| Pvap | 11.26 | kPa | 354.23 | Calculated Property |
| Pvap | 20.25 | kPa | 367.50 | Calculated Property |
| Pvap | 34.68 | kPa | 380.76 | Calculated Property |
| Pvap | 56.86 | kPa | 394.03 | Calculated Property |
| Pvap | 89.75 | kPa | 407.29 | Calculated Property |
| Pvap | 136.91 | kPa | 420.56 | Calculated Property |
| Pvap | 202.64 | kPa | 433.82 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentanol, 2,4-dimethyl-.
Sources
- Crippen Method
- Calorimetric and FTIR study of selected aliphatic heptanols
- Effect of Isomerism on the Liquid-Liquid Phase Behavior of Mixtures of 1-Alkyl-3-methylimidazolium Bis((trifluoromethyl)sulfonyl)amide Ionic Liquids with Heptanol
- 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.