- InChI
- InChI=1S/C11H14O3/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7,12H,1-3H3
- InChI Key
- XAOVNTXDHGDNBG-UHFFFAOYSA-N
- Formula
- C11H14O3
- SMILES
- CC(C)(C)OC(=O)c1cccc(O)c1
- Molecular Weight1
- 194.23
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical 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 | -545.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.347 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 3345.11 | kPa | Joback Calculated Property |
| Inp | 1585.00 | NIST | |
| Tboil | 555.41 | K | Relay (1.0) Calculated Property |
| Tc | 760.92 | K | Relay (1.0) Calculated Property |
| Tfus | 352.66 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [401.94; 469.65] | J/mol×K | [631.44; 864.06] | 
|
| Cp,gas | 401.94 | J/mol×K | 631.44 | Joback Calculated Property |
| Cp,gas | 415.36 | J/mol×K | 670.21 | Joback Calculated Property |
| Cp,gas | 427.79 | J/mol×K | 708.98 | Joback Calculated Property |
| Cp,gas | 439.34 | J/mol×K | 747.75 | Joback Calculated Property |
| Cp,gas | 450.09 | J/mol×K | 786.52 | Joback Calculated Property |
| Cp,gas | 460.16 | J/mol×K | 825.29 | Joback Calculated Property |
| Cp,gas | 469.65 | J/mol×K | 864.06 | Joback Calculated Property |
| η | [0.0000228; 0.0007018] | Pa×s | [426.45; 631.44] |
|
| η | 0.0007018 | Pa×s | 426.45 | Joback Calculated Property |
| η | 0.0003208 | Pa×s | 460.62 | Joback Calculated Property |
| η | 0.0001634 | Pa×s | 494.78 | Joback Calculated Property |
| η | 0.0000908 | Pa×s | 528.95 | Joback Calculated Property |
| η | 0.0000542 | Pa×s | 563.11 | Joback Calculated Property |
| η | 0.0000343 | Pa×s | 597.28 | Joback Calculated Property |
| η | 0.0000228 | Pa×s | 631.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-hydroxy-, tert.-butyl ester.
Sources
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