- InChI
- InChI=1S/C7H16O/c1-6(2)4-7(3)5-8/h6-8H,4-5H2,1-3H3
- InChI Key
- OVOVDHYEOQJKMD-UHFFFAOYSA-N
- Formula
- C7H16O
- SMILES
- CC(C)CC(C)CO
- Molecular Weight1
- 116.20
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- 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 | 0.5890 | Relay (1.0) Calculated Property | |
| ΔfG° | -133.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -360.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.60 | Aq. Solubility Prediction | |
| logPoct/wat | 1.661 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Pc | 3149.09 | kPa | Joback Calculated Property |
| Tboil | 426.83 | K | Relay (1.0) Calculated Property |
| Tc | 610.64 | K | Relay (1.0) Calculated Property |
| Tfus | 181.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.404 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.11; 308.91] | J/mol×K | [451.06; 618.33] | 
|
| Cp,gas | 248.11 | J/mol×K | 451.06 | Joback Calculated Property |
| Cp,gas | 259.29 | J/mol×K | 478.94 | Joback Calculated Property |
| Cp,gas | 270.03 | J/mol×K | 506.82 | Joback Calculated Property |
| Cp,gas | 280.36 | J/mol×K | 534.69 | Joback Calculated Property |
| Cp,gas | 290.27 | J/mol×K | 562.57 | Joback Calculated Property |
| Cp,gas | 299.78 | J/mol×K | 590.45 | Joback Calculated Property |
| Cp,gas | 308.91 | J/mol×K | 618.33 | Joback Calculated Property |
| η | [0.0001926; 0.4386858] | Pa×s | [199.47; 451.06] |
|
| η | 0.4386858 | Pa×s | 199.47 | Joback Calculated Property |
| η | 0.0394949 | Pa×s | 241.40 | Joback Calculated Property |
| η | 0.0072513 | Pa×s | 283.33 | Joback Calculated Property |
| η | 0.0020611 | Pa×s | 325.26 | Joback Calculated Property |
| η | 0.0007808 | Pa×s | 367.20 | Joback Calculated Property |
| η | 0.0003609 | Pa×s | 409.13 | Joback Calculated Property |
| η | 0.0001926 | Pa×s | 451.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-dimethyl-1-pentanol.
Sources
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