- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [262.88; 644.46] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -6.45190e+01 | |||
| Coefficient B | 1.48180e+00 | |||
| Coefficient C | -1.13332e-03 | |||
| Coefficient D | 3.60500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 262.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 333.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 394.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 447.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 492.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 531.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 564.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 593.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 619.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 644.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015945; 0.0000287] | Pa×s | [385.62; 595.16] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.78565e+01 | |||
| Coefficient B | 4.40198e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 385.62 | |||
| Temperature range, max. | 595.16 | |||
| η | 0.0015945 | Pa×s | 385.62 | Calculated Property |
| η | 0.0008324 | Pa×s | 408.90 | Calculated Property |
| η | 0.0004661 | Pa×s | 432.19 | Calculated Property |
| η | 0.0002769 | Pa×s | 455.47 | Calculated Property |
| η | 0.0001731 | Pa×s | 478.75 | Calculated Property |
| η | 0.0001130 | Pa×s | 502.03 | Calculated Property |
| η | 0.0000766 | Pa×s | 525.32 | Calculated Property |
| η | 0.0000537 | Pa×s | 548.60 | Calculated Property |
| η | 0.0000387 | Pa×s | 571.88 | Calculated Property |
| η | 0.0000287 | Pa×s | 595.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-tert-butyl-2-sec-butylphenol.
Sources
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