- InChI
- InChI=1S/C14H22O/c1-6-10(2)12-9-11(14(3,4)5)7-8-13(12)15/h7-10,15H,6H2,1-5H3
- InChI Key
- JKFZLMPBXBMSPD-UHFFFAOYSA-N
- Formula
- C14H22O
- SMILES
- CCC(C)c1cc(C(C)(C)C)ccc1O
- Molecular Weight1
- 206.32
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -294.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.74 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.203 | Crippen Calculated Property | |
| McVol | 190.230 | ml/mol | McGowan Calculated Property |
| Pc | 2333.78 | kPa | Joback Calculated Property |
| Inp | 1590.00 | NIST | |
| Tboil | 543.34 | K | Relay (1.0) Calculated Property |
| Tc | 770.31 | K | Relay (1.0) Calculated Property |
| Tfus | 340.67 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [508.53; 597.57] | J/mol×K | [628.33; 849.96] | 
|
| Cp,gas | 508.53 | J/mol×K | 628.33 | Joback Calculated Property |
| Cp,gas | 525.83 | J/mol×K | 665.27 | Joback Calculated Property |
| Cp,gas | 542.00 | J/mol×K | 702.21 | Joback Calculated Property |
| Cp,gas | 557.15 | J/mol×K | 739.15 | Joback Calculated Property |
| Cp,gas | 571.39 | J/mol×K | 776.09 | Joback Calculated Property |
| Cp,gas | 584.82 | J/mol×K | 813.02 | Joback Calculated Property |
| Cp,gas | 597.57 | J/mol×K | 849.96 | Joback Calculated Property |
| η | [0.0000194; 0.0015945] | Pa×s | [385.62; 628.33] |
|
| η | 0.0015945 | Pa×s | 385.62 | Joback Calculated Property |
| η | 0.0005394 | Pa×s | 426.07 | Joback Calculated Property |
| η | 0.0002202 | Pa×s | 466.52 | Joback Calculated Property |
| η | 0.0001037 | Pa×s | 506.97 | Joback Calculated Property |
| η | 0.0000546 | Pa×s | 547.43 | Joback Calculated Property |
| η | 0.0000314 | Pa×s | 587.88 | Joback Calculated Property |
| η | 0.0000194 | Pa×s | 628.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-tert-butyl-2-sec-butylphenol.
Sources
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