- InChI
- InChI=1S/C12H16O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5-8H,1-4H3
- InChI Key
- LQHSKMQTMCTISH-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- CC(=O)OC(C)(C)c1ccc(C)cc1
- Molecular Weight1
- 192.25
- Other Names
-
- p-Cymen-8-ol, acetate
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point 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 | -399.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.793 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2426.65 | kPa | Joback Calculated Property |
| Inp | [1323.00; 1328.00] |
|
|
| Inp | 1328.00 | NIST | |
| Inp | 1323.00 | NIST | |
| Inp | 1323.00 | NIST | |
| Inp | 1323.00 | NIST | |
| Inp | 1328.00 | NIST | |
| I | 1680.00 | NIST | |
| Tboil | 500.18 | K | Relay (1.0) Calculated Property |
| Tfus | 264.99 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [392.10; 474.30] | J/mol×K | [560.81; 778.07] |
|
| Cp,gas | 392.10 | J/mol×K | 560.81 | Joback Calculated Property |
| Cp,gas | 408.33 | J/mol×K | 597.02 | Joback Calculated Property |
| Cp,gas | 423.49 | J/mol×K | 633.23 | Joback Calculated Property |
| Cp,gas | 437.63 | J/mol×K | 669.44 | Joback Calculated Property |
| Cp,gas | 450.78 | J/mol×K | 705.65 | Joback Calculated Property |
| Cp,gas | 462.99 | J/mol×K | 741.86 | Joback Calculated Property |
| Cp,gas | 474.30 | J/mol×K | 778.07 | Joback Calculated Property |
| η | [0.0001505; 0.0029909] | Pa×s | [308.69; 560.81] |
|
| η | 0.0029909 | Pa×s | 308.69 | Joback Calculated Property |
| η | 0.0013482 | Pa×s | 350.71 | Joback Calculated Property |
| η | 0.0007208 | Pa×s | 392.73 | Joback Calculated Property |
| η | 0.0004349 | Pa×s | 434.75 | Joback Calculated Property |
| η | 0.0002868 | Pa×s | 476.77 | Joback Calculated Property |
| η | 0.0002024 | Pa×s | 518.79 | Joback Calculated Property |
| η | 0.0001505 | Pa×s | 560.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Cymene-8-acetate.
Sources
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