- 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° | 22.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.49 | 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 | 3522.09 | kPa | Joback Calculated Property |
| Inp | 1501.00 | NIST | |
| Tboil | 541.47 | K | Relay (1.0) Calculated Property |
| Tc | 745.88 | K | Relay (1.0) Calculated Property |
| Tfus | 342.25 | 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 | [348.02; 412.17] | J/mol×K | [593.48; 819.56] | 
|
| Cp,gas | 348.02 | J/mol×K | 593.48 | Joback Calculated Property |
| Cp,gas | 360.77 | J/mol×K | 631.16 | Joback Calculated Property |
| Cp,gas | 372.60 | J/mol×K | 668.84 | Joback Calculated Property |
| Cp,gas | 383.59 | J/mol×K | 706.52 | Joback Calculated Property |
| Cp,gas | 393.81 | J/mol×K | 744.20 | Joback Calculated Property |
| Cp,gas | 403.31 | J/mol×K | 781.88 | Joback Calculated Property |
| Cp,gas | 412.17 | J/mol×K | 819.56 | Joback Calculated Property |
| η | [0.0000304; 0.0023872] | Pa×s | [367.93; 593.48] |
|
| η | 0.0023872 | Pa×s | 367.93 | Joback Calculated Property |
| η | 0.0008232 | Pa×s | 405.52 | Joback Calculated Property |
| η | 0.0003401 | Pa×s | 443.11 | Joback Calculated Property |
| η | 0.0001613 | Pa×s | 480.71 | Joback Calculated Property |
| η | 0.0000853 | Pa×s | 518.30 | Joback Calculated Property |
| η | 0.0000491 | Pa×s | 555.89 | Joback Calculated Property |
| η | 0.0000304 | Pa×s | 593.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to BENZOIC ACID, 3-HYDROXY-, 1-METHYLETHYL ESTER.
Sources
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