- InChI
- InChI=1S/C12H14O3/c1-14-11-7-2-4-9(8-11)12(13)15-10-5-3-6-10/h2,4,7-8,10H,3,5-6H2,1H3
- InChI Key
- FNCNTMFPAUQCCX-UHFFFAOYSA-N
- Formula
- C12H14O3
- SMILES
- COc1cccc(C(=O)OC2CCC2)c1
- Molecular Weight1
- 206.24
- 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 | -423.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.405 | Crippen Calculated Property | |
| McVol | 158.630 | ml/mol | McGowan Calculated Property |
| Pc | 2738.28 | kPa | Joback Calculated Property |
| Inp | 1683.50 | NIST | |
| Tboil | 577.82 | K | Relay (1.0) Calculated Property |
| Tc | 796.06 | K | Relay (1.0) Calculated Property |
| Tfus | 256.02 | 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 | [401.29; 484.04] | J/mol×K | [597.47; 821.98] | 
|
| Cp,gas | 401.29 | J/mol×K | 597.47 | Joback Calculated Property |
| Cp,gas | 417.72 | J/mol×K | 634.89 | Joback Calculated Property |
| Cp,gas | 433.06 | J/mol×K | 672.31 | Joback Calculated Property |
| Cp,gas | 447.33 | J/mol×K | 709.73 | Joback Calculated Property |
| Cp,gas | 460.57 | J/mol×K | 747.14 | Joback Calculated Property |
| Cp,gas | 472.80 | J/mol×K | 784.56 | Joback Calculated Property |
| Cp,gas | 484.04 | J/mol×K | 821.98 | Joback Calculated Property |
| η | [0.0002389; 0.0018140] | Pa×s | [342.92; 597.47] |
|
| η | 0.0018140 | Pa×s | 342.92 | Joback Calculated Property |
| η | 0.0010742 | Pa×s | 385.35 | Joback Calculated Property |
| η | 0.0007058 | Pa×s | 427.77 | Joback Calculated Property |
| η | 0.0005003 | Pa×s | 470.20 | Joback Calculated Property |
| η | 0.0003754 | Pa×s | 512.62 | Joback Calculated Property |
| η | 0.0002943 | Pa×s | 555.05 | Joback Calculated Property |
| η | 0.0002389 | Pa×s | 597.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-anisic acid, cyclobutyl ester.
Sources
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