- InChI
- InChI=1S/C12H16O3/c1-12(2,3)15-11(13)9-7-5-6-8-10(9)14-4/h5-8H,1-4H3
- InChI Key
- BQFFOUQBTAMINL-UHFFFAOYSA-N
- Formula
- C12H16O3
- SMILES
- COc1ccccc1C(=O)OC(C)(C)C
- Molecular Weight1
- 208.25
- 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.
- 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° | -183.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -451.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.51 | kJ/mol | Joback Calculated Property |
| log10WS | -3.20 | Crippen Calculated Property | |
| logPoct/wat | 2.651 | Crippen Calculated Property | |
| McVol | 169.490 | ml/mol | McGowan Calculated Property |
| Pc | 2485.07 | kPa | Joback Calculated Property |
| Inp | [1470.00; 1470.00] |
|
|
| Inp | 1470.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Tboil | 601.10 | K | Joback Calculated Property |
| Tc | 818.07 | K | Joback Calculated Property |
| Tfus | 360.75 | K | Joback Calculated Property |
| Vc | 0.630 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.60; 501.35] | J/mol×K | [601.10; 818.07] |
|
| Cp,gas | 422.60 | J/mol×K | 601.10 | Joback Calculated Property |
| Cp,gas | 438.00 | J/mol×K | 637.26 | Joback Calculated Property |
| Cp,gas | 452.46 | J/mol×K | 673.42 | Joback Calculated Property |
| Cp,gas | 466.00 | J/mol×K | 709.58 | Joback Calculated Property |
| Cp,gas | 478.65 | J/mol×K | 745.74 | Joback Calculated Property |
| Cp,gas | 490.42 | J/mol×K | 781.91 | Joback Calculated Property |
| Cp,gas | 501.35 | J/mol×K | 818.07 | Joback Calculated Property |
| η | [0.0001290; 0.0014033] | Pa×s | [360.75; 601.10] |
|
| η | 0.0014033 | Pa×s | 360.75 | Joback Calculated Property |
| η | 0.0007728 | Pa×s | 400.81 | Joback Calculated Property |
| η | 0.0004743 | Pa×s | 440.87 | Joback Calculated Property |
| η | 0.0003158 | Pa×s | 480.92 | Joback Calculated Property |
| η | 0.0002238 | Pa×s | 520.98 | Joback Calculated Property |
| η | 0.0001666 | Pa×s | 561.04 | Joback Calculated Property |
| η | 0.0001290 | Pa×s | 601.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-methoxy-, tert.-butyl ester.
Sources
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