- InChI
- InChI=1S/C8H16O/c1-6-8(5,9)7(2,3)4/h6,9H,1H2,2-5H3
- InChI Key
- VHCAZBIUJQZQCZ-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- C=CC(C)(O)C(C)(C)C
- Molecular Weight1
- 128.21
- CAS
- 3732-61-4
- 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).
- 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 | 0.4861 | Relay (1.0) Calculated Property | |
| ΔfG° | -26.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -263.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.969 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 3038.96 | kPa | Joback Calculated Property |
| Tboil | 414.58 | K | Relay (1.0) Calculated Property |
| Tc | 610.67 | K | Relay (1.0) Calculated Property |
| Tfus | 268.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.436 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.56; 345.97] | J/mol×K | [465.04; 647.73] | 
|
| Cp,gas | 278.56 | J/mol×K | 465.04 | Joback Calculated Property |
| Cp,gas | 291.64 | J/mol×K | 495.49 | Joback Calculated Property |
| Cp,gas | 303.92 | J/mol×K | 525.94 | Joback Calculated Property |
| Cp,gas | 315.46 | J/mol×K | 556.38 | Joback Calculated Property |
| Cp,gas | 326.28 | J/mol×K | 586.83 | Joback Calculated Property |
| Cp,gas | 336.43 | J/mol×K | 617.28 | Joback Calculated Property |
| Cp,gas | 345.97 | J/mol×K | 647.73 | Joback Calculated Property |
| η | [0.0001899; 0.0975868] | Pa×s | [243.82; 465.04] |
|
| η | 0.0975868 | Pa×s | 243.82 | Joback Calculated Property |
| η | 0.0174127 | Pa×s | 280.69 | Joback Calculated Property |
| η | 0.0046361 | Pa×s | 317.56 | Joback Calculated Property |
| η | 0.0016256 | Pa×s | 354.43 | Joback Calculated Property |
| η | 0.0006944 | Pa×s | 391.30 | Joback Calculated Property |
| η | 0.0003435 | Pa×s | 428.17 | Joback Calculated Property |
| η | 0.0001899 | Pa×s | 465.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4,4-Trimethyl-1-penten-3-ol.
Sources
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