- InChI
- InChI=1S/C11H14O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3
- InChI Key
- UPPSFGGDKACIKP-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- Cc1ccc(OC(=O)C(C)C)cc1
- Molecular Weight1
- 178.23
- CAS
- 103-93-5
- Other Names
-
- Propanoic acid, 2-methyl-, 4-methylphenyl ester
- Isobutyric acid, p-tolyl ester
- p-Cresyl isobutyrate
- p-Methylphenyl isobutyrate
- para-Tolyl isobutyrate
- Paracresyl isobutyrate
- 4-Methylphenyl 2-methylpropanoate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -91.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.79 | kJ/mol | Joback Calculated Property |
| log10WS | -2.86 | Crippen Calculated Property | |
| logPoct/wat | 2.556 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2758.46 | kPa | Joback Calculated Property |
| Inp | [1289.00; 1291.00] |
|
|
| Inp | 1289.00 | NIST | |
| Inp | 1289.10 | NIST | |
| Inp | 1291.00 | NIST | |
| Inp | 1291.00 | NIST | |
| Inp | 1289.00 | NIST | |
| I | [1763.00; 1763.00] |
|
|
| I | 1763.00 | NIST | |
| I | 1763.00 | NIST | |
| I | 1763.00 | NIST | |
| Tboil | 558.59 | K | Joback Calculated Property |
| Tc | 773.47 | K | Joback Calculated Property |
| Tfus | 309.83 | K | Joback Calculated Property |
| Vc | 0.561 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.51; 421.95] | J/mol×K | [558.59; 773.47] |
|
| Cp,gas | 346.51 | J/mol×K | 558.59 | Joback Calculated Property |
| Cp,gas | 361.03 | J/mol×K | 594.40 | Joback Calculated Property |
| Cp,gas | 374.76 | J/mol×K | 630.22 | Joback Calculated Property |
| Cp,gas | 387.70 | J/mol×K | 666.03 | Joback Calculated Property |
| Cp,gas | 399.87 | J/mol×K | 701.84 | Joback Calculated Property |
| Cp,gas | 411.28 | J/mol×K | 737.66 | Joback Calculated Property |
| Cp,gas | 421.95 | J/mol×K | 773.47 | Joback Calculated Property |
| η | [0.0001834; 0.0022187] | Pa×s | [309.83; 558.59] |
|
| η | 0.0022187 | Pa×s | 309.83 | Joback Calculated Property |
| η | 0.0011460 | Pa×s | 351.29 | Joback Calculated Property |
| η | 0.0006805 | Pa×s | 392.75 | Joback Calculated Property |
| η | 0.0004464 | Pa×s | 434.21 | Joback Calculated Property |
| η | 0.0003151 | Pa×s | 475.67 | Joback Calculated Property |
| η | 0.0002352 | Pa×s | 517.13 | Joback Calculated Property |
| η | 0.0001834 | Pa×s | 558.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Tolyl isobutyrate.
Sources
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