- InChI
- InChI=1S/C10H12O3/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7,11H,1-2H3
- InChI Key
- VANDBVAFPVUVNX-UHFFFAOYSA-N
- Formula
- C10H12O3
- SMILES
- CC(C)OC(=O)c1cccc(O)c1
- Molecular Weight1
- 180.20
- Other Names
-
- Benzoic acid, 3-hydroxy-, isopropyl ester
- Isopropyl 3-hydroxybenzoate
- 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 | -513.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.957 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 3699.95 | kPa | Joback Calculated Property |
| Inp | 1501.00 | NIST | |
| Tboil | 541.47 | K | Relay (1.0) Calculated Property |
| Tc | 745.51 | K | Relay (1.0) Calculated Property |
| Tfus | 343.53 | 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 | [350.96; 414.28] | J/mol×K | [611.35; 839.56] | 
|
| Cp,gas | 350.96 | J/mol×K | 611.35 | Joback Calculated Property |
| Cp,gas | 363.37 | J/mol×K | 649.38 | Joback Calculated Property |
| Cp,gas | 374.95 | J/mol×K | 687.42 | Joback Calculated Property |
| Cp,gas | 385.76 | J/mol×K | 725.45 | Joback Calculated Property |
| Cp,gas | 395.88 | J/mol×K | 763.49 | Joback Calculated Property |
| Cp,gas | 405.36 | J/mol×K | 801.52 | Joback Calculated Property |
| Cp,gas | 414.28 | J/mol×K | 839.56 | Joback Calculated Property |
| η | [0.0000300; 0.0012031] | Pa×s | [397.76; 611.35] |
|
| η | 0.0012031 | Pa×s | 397.76 | Joback Calculated Property |
| η | 0.0005049 | Pa×s | 433.36 | Joback Calculated Property |
| η | 0.0002417 | Pa×s | 468.96 | Joback Calculated Property |
| η | 0.0001284 | Pa×s | 504.56 | Joback Calculated Property |
| η | 0.0000742 | Pa×s | 540.15 | Joback Calculated Property |
| η | 0.0000458 | Pa×s | 575.75 | Joback Calculated Property |
| η | 0.0000300 | Pa×s | 611.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to BENZOIC ACID, 3-HYDROXY-, 1-METHYLETHYL ESTER.
Sources
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