- InChI
- InChI=1S/C8H18O/c1-6(2)7(9)8(3,4)5/h6-7,9H,1-5H3
- InChI Key
- AXINNNJHLJWMTC-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CC(C)C(O)C(C)(C)C
- Molecular Weight1
- 130.23
- CAS
- 5162-48-1
- Other Names
-
- 2,2,4-trimethylpentan-3-ol
- 3-Pentanol, 2,2,4-trimethyl-
- 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.
- 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° | -122.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -379.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.01 | kJ/mol | Joback Calculated Property |
| log10WS | -2.06 | Crippen Calculated Property | |
| logPoct/wat | 2.049 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2893.62 | kPa | Joback Calculated Property |
| Inp | [882.00; 882.00] |
|
|
| Inp | 882.00 | NIST | |
| Inp | 882.00 | NIST | |
| Tboil | [418.15; 428.15] | K |
|
| Tboil | 426.15 ± 3.00 | K | NIST |
| Tboil | 424.15 ± 1.00 | K | NIST |
| Tboil | 420.15 ± 2.00 | K | NIST |
| Tboil | 422.15 ± 3.00 | K | NIST |
| Tboil | 424.45 ± 1.00 | K | NIST |
| Tboil | 428.15 ± 2.00 | K | NIST |
| Tboil | 418.15 ± 5.00 | K | NIST |
| Tboil | 418.15 ± 2.00 | K | NIST |
| Tboil | 423.15 ± 3.00 | K | NIST |
| Tboil | 423.15 ± 3.00 | K | NIST |
| Tboil | 418.15 ± 6.00 | K | NIST |
| Tboil | 423.65 ± 3.00 | K | NIST |
| Tboil | 419.65 ± 3.00 | K | NIST |
| Tboil | 423.65 ± 3.00 | K | NIST |
| Tc | 646.51 | K | Joback Calculated Property |
| Tfus | 213.16 | K | Joback Calculated Property |
| Vc | 0.479 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [293.13; 363.24] | J/mol×K | [470.51; 646.51] |
|
| Cp,gas | 293.13 | J/mol×K | 470.51 | Joback Calculated Property |
| Cp,gas | 306.34 | J/mol×K | 499.84 | Joback Calculated Property |
| Cp,gas | 318.90 | J/mol×K | 529.18 | Joback Calculated Property |
| Cp,gas | 330.85 | J/mol×K | 558.51 | Joback Calculated Property |
| Cp,gas | 342.21 | J/mol×K | 587.85 | Joback Calculated Property |
| Cp,gas | 353.00 | J/mol×K | 617.18 | Joback Calculated Property |
| Cp,gas | 363.24 | J/mol×K | 646.51 | Joback Calculated Property |
| η | [0.0001639; 0.4662578] | Pa×s | [213.16; 470.51] |
|
| η | 0.4662578 | Pa×s | 213.16 | Joback Calculated Property |
| η | 0.0408132 | Pa×s | 256.05 | Joback Calculated Property |
| η | 0.0071866 | Pa×s | 298.94 | Joback Calculated Property |
| η | 0.0019567 | Pa×s | 341.84 | Joback Calculated Property |
| η | 0.0007121 | Pa×s | 384.73 | Joback Calculated Property |
| η | 0.0003174 | Pa×s | 427.62 | Joback Calculated Property |
| η | 0.0001639 | Pa×s | 470.51 | Joback Calculated Property |
| ΔvapH | 57.10 | kJ/mol | 378.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [335.98; 443.73] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39970e+01 | |||
| Coefficient B | -2.55387e+03 | |||
| Coefficient C | -1.49693e+02 | |||
| Temperature range, min. | 335.98 | |||
| Temperature range, max. | 443.73 | |||
| Pvap | 1.33 | kPa | 335.98 | Calculated Property |
| Pvap | 3.05 | kPa | 347.95 | Calculated Property |
| Pvap | 6.35 | kPa | 359.92 | Calculated Property |
| Pvap | 12.23 | kPa | 371.90 | Calculated Property |
| Pvap | 22.00 | kPa | 383.87 | Calculated Property |
| Pvap | 37.40 | kPa | 395.84 | Calculated Property |
| Pvap | 60.51 | kPa | 407.81 | Calculated Property |
| Pvap | 93.83 | kPa | 419.79 | Calculated Property |
| Pvap | 140.16 | kPa | 431.76 | Calculated Property |
| Pvap | 202.64 | kPa | 443.73 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,4-Trimethyl-3-pentanol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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