- InChI
- InChI=1S/C11H14O2/c1-8-4-5-11(9(2)6-8)7-13-10(3)12/h4-6H,7H2,1-3H3
- InChI Key
- IRJIWPLWQGRUAY-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CC(=O)OCc1ccc(C)cc1C
- Molecular Weight1
- 178.23
- CAS
- 62346-96-7
- 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).
- 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 | -359.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.367 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Inp | [1348.00; 1348.00] |
|
|
| Inp | 1348.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Ip | [1916.00; 1916.00] |
|
|
| Ip | 1916.00 | NIST | |
| Ip | 1916.00 | NIST | |
| Tboil | 513.45 | K | Relay (1.0) Calculated Property |
| Tfus | 259.39 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, 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 | [203.02; 470.33] | 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 | 1.29910e+01 | |||
| Coefficient B | 7.96160e-01 | |||
| Coefficient C | -3.77120e-04 | |||
| Coefficient D | 3.83000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 203.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 249.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 290.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 328.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 361.69 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 390.99 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 416.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 437.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 455.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 470.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018534; 0.0001922] | Pa×s | [307.52; 528.51] |
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 | -1.17109e+01 | |||
| Coefficient B | 1.66682e+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. | 307.52 | |||
| Temperature range, max. | 528.51 | |||
| η | 0.0018534 | Pa×s | 307.52 | Calculated Property |
| η | 0.0012414 | Pa×s | 332.07 | Calculated Property |
| η | 0.0008787 | Pa×s | 356.63 | Calculated Property |
| η | 0.0006502 | Pa×s | 381.18 | Calculated Property |
| η | 0.0004991 | Pa×s | 405.74 | Calculated Property |
| η | 0.0003948 | Pa×s | 430.29 | Calculated Property |
| η | 0.0003203 | Pa×s | 454.85 | Calculated Property |
| η | 0.0002655 | Pa×s | 479.40 | Calculated Property |
| η | 0.0002241 | Pa×s | 503.95 | Calculated Property |
| η | 0.0001922 | Pa×s | 528.51 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dimethylbenzyl 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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