- InChI
- InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-8H,1-4H3
- InChI Key
- OXZSUQJHKQOGOK-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- CC(=O)Oc1cc(C(C)C)ccc1C
- Molecular Weight1
- 192.25
- CAS
- 6380-28-5
- Other Names
-
- Carvacryl acetate
- 5-Isopropyl-o-tolyl acetate
- Carvacrol 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 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 | -394.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.044 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Inp | [1341.00; 1391.00] |
|
|
| Inp | 1371.00 | NIST | |
| Inp | 1371.00 | NIST | |
| Inp | Outlier 1391.00 | NIST | |
| Inp | 1381.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1371.00 | NIST | |
| Inp | 1369.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Inp | 1368.00 | NIST | |
| Inp | 1372.00 | NIST | |
| Inp | 1364.00 | NIST | |
| Inp | 1368.00 | NIST | |
| Inp | 1371.00 | NIST | |
| Inp | 1368.00 | NIST | |
| Inp | Outlier 1341.00 | NIST | |
| Inp | 1376.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Inp | 1372.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | Outlier 1344.00 | NIST | |
| Inp | 1371.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1371.00 | NIST | |
| Inp | 1367.00 | NIST | |
| Inp | 1373.00 | NIST | |
| Inp | 1371.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1367.00 | NIST | |
| Inp | Outlier 1391.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Inp | 1372.00 | NIST | |
| I | [1868.00; 1890.00] |
|
|
| I | 1890.00 | NIST | |
| I | 1882.00 | NIST | |
| I | 1868.00 | NIST | |
| I | 1890.00 | NIST | |
| Tboil | 519.40 | K | Relay (1.0) Calculated Property |
| Tfus | 271.24 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 | [389.06; 468.77] | J/mol×K | [568.58; 778.54] |
|
| Cp,gas | 389.06 | J/mol×K | 568.58 | Joback Calculated Property |
| Cp,gas | 404.41 | J/mol×K | 603.57 | Joback Calculated Property |
| Cp,gas | 418.92 | J/mol×K | 638.57 | Joback Calculated Property |
| Cp,gas | 432.60 | J/mol×K | 673.56 | Joback Calculated Property |
| Cp,gas | 445.46 | J/mol×K | 708.56 | Joback Calculated Property |
| Cp,gas | 457.51 | J/mol×K | 743.55 | Joback Calculated Property |
| Cp,gas | 468.77 | J/mol×K | 778.54 | Joback Calculated Property |
| η | [0.0001501; 0.0023650] | Pa×s | [303.79; 568.58] |
|
| η | 0.0023650 | Pa×s | 303.79 | Joback Calculated Property |
| η | 0.0011160 | Pa×s | 347.92 | Joback Calculated Property |
| η | 0.0006236 | Pa×s | 392.05 | Joback Calculated Property |
| η | 0.0003920 | Pa×s | 436.19 | Joback Calculated Property |
| η | 0.0002684 | Pa×s | 480.32 | Joback Calculated Property |
| η | 0.0001958 | Pa×s | 524.45 | Joback Calculated Property |
| η | 0.0001501 | Pa×s | 568.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-methyl-5-(1-methylethyl)-, acetate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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