- InChI
- InChI=1S/C11H12O4/c1-7(2)15-11(14)9-6-4-3-5-8(9)10(12)13/h3-7H,1-2H3,(H,12,13)
- InChI Key
- CXJOEMLCEGZVPL-UHFFFAOYSA-N
- Formula
- C11H12O4
- SMILES
- CC(C)OC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 208.21
- CAS
- 35118-50-4
- 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° | -357.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.21 | kJ/mol | Joback Calculated Property |
| log10WS | -2.72 | Crippen Calculated Property | |
| logPoct/wat | 1.950 | Crippen Calculated Property | |
| McVol | 156.970 | ml/mol | McGowan Calculated Property |
| Pc | 3269.04 | kPa | Joback Calculated Property |
| Inp | [1667.00; 1667.00] |
|
|
| Inp | 1667.00 | NIST | |
| Inp | 1667.00 | NIST | |
| Tboil | 704.64 | K | Joback Calculated Property |
| Tc | 911.71 | K | Joback Calculated Property |
| Tfus | 420.58 | K | Joback Calculated Property |
| Vc | 0.587 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [412.11; 465.45] | J/mol×K | [704.64; 911.71] |
|
| Cp,gas | 412.11 | J/mol×K | 704.64 | Joback Calculated Property |
| Cp,gas | 422.73 | J/mol×K | 739.15 | Joback Calculated Property |
| Cp,gas | 432.64 | J/mol×K | 773.66 | Joback Calculated Property |
| Cp,gas | 441.85 | J/mol×K | 808.18 | Joback Calculated Property |
| Cp,gas | 450.38 | J/mol×K | 842.69 | Joback Calculated Property |
| Cp,gas | 458.24 | J/mol×K | 877.20 | Joback Calculated Property |
| Cp,gas | 465.45 | J/mol×K | 911.71 | Joback Calculated Property |
| η | [0.0000458; 0.0015908] | Pa×s | [420.58; 704.64] |
|
| η | 0.0015908 | Pa×s | 420.58 | Joback Calculated Property |
| η | 0.0006532 | Pa×s | 467.92 | Joback Calculated Property |
| η | 0.0003159 | Pa×s | 515.27 | Joback Calculated Property |
| η | 0.0001726 | Pa×s | 562.61 | Joback Calculated Property |
| η | 0.0001036 | Pa×s | 609.95 | Joback Calculated Property |
| η | 0.0000669 | Pa×s | 657.30 | Joback Calculated Property |
| η | 0.0000458 | Pa×s | 704.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(Isopropoxycarbonyl)benzoic acid.
Sources
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