- InChI
- InChI=1S/C7H16O/c1-7(2,3)5-4-6-8/h8H,4-6H2,1-3H3
- InChI Key
- OWCNPTHAWPMOJU-UHFFFAOYSA-N
- Formula
- C7H16O
- SMILES
- CC(C)(C)CCCO
- 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 | 0.5933 | Relay (1.0) Calculated Property | |
| ΔfG° | -125.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -369.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.55 | Aq. Solubility Prediction | |
| logPoct/wat | 1.805 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Pc | 3159.72 | kPa | Joback Calculated Property |
| Tboil | 434.79 | K | Relay (1.0) Calculated Property |
| Tc | 616.77 | K | Relay (1.0) Calculated Property |
| Tfus | 254.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.400 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.39; 312.34] | J/mol×K | [448.51; 618.48] | 
|
| Cp,gas | 250.39 | J/mol×K | 448.51 | Joback Calculated Property |
| Cp,gas | 262.01 | J/mol×K | 476.84 | Joback Calculated Property |
| Cp,gas | 273.08 | J/mol×K | 505.17 | Joback Calculated Property |
| Cp,gas | 283.62 | J/mol×K | 533.50 | Joback Calculated Property |
| Cp,gas | 293.67 | J/mol×K | 561.82 | Joback Calculated Property |
| Cp,gas | 303.23 | J/mol×K | 590.15 | Joback Calculated Property |
| Cp,gas | 312.34 | J/mol×K | 618.48 | Joback Calculated Property |
| η | [0.0002207; 0.0985996] | Pa×s | [231.89; 448.51] |
|
| η | 0.0985996 | Pa×s | 231.89 | Joback Calculated Property |
| η | 0.0179763 | Pa×s | 267.99 | Joback Calculated Property |
| η | 0.0049095 | Pa×s | 304.10 | Joback Calculated Property |
| η | 0.0017661 | Pa×s | 340.20 | Joback Calculated Property |
| η | 0.0007730 | Pa×s | 376.30 | Joback Calculated Property |
| η | 0.0003910 | Pa×s | 412.41 | Joback Calculated Property |
| η | 0.0002207 | Pa×s | 448.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4-dimethyl-1-pentanol.
Sources
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