- 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.
- Ip : 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 | |
| Ip | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.22; 526.43] | 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 | -2.66900e+01 | |||
| Coefficient B | 1.07648e+00 | |||
| Coefficient C | -6.70360e-04 | |||
| Coefficient D | 1.47000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 220.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 276.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 326.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 370.15 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 407.94 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 440.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 468.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 491.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 510.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 526.43 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029909; 0.0001677] | Pa×s | [308.69; 544.65] |
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 | -1.24622e+01 | |||
| Coefficient B | 2.05278e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 308.69 | |||
| Temperature range, max. | 544.65 | |||
| η | 0.0029909 | Pa×s | 308.69 | Calculated Property |
| η | 0.0017771 | Pa×s | 334.91 | Calculated Property |
| η | 0.0011388 | Pa×s | 361.13 | Calculated Property |
| η | 0.0007751 | Pa×s | 387.34 | Calculated Property |
| η | 0.0005539 | Pa×s | 413.56 | Calculated Property |
| η | 0.0004120 | Pa×s | 439.78 | Calculated Property |
| η | 0.0003169 | Pa×s | 466.00 | Calculated Property |
| η | 0.0002506 | Pa×s | 492.22 | Calculated Property |
| η | 0.0002029 | Pa×s | 518.43 | Calculated Property |
| η | 0.0001677 | Pa×s | 544.65 | Calculated Property |
Similar Compounds
Find more compounds similar to p-Cymene-8-acetate.
Sources
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