- InChI
- InChI=1S/C5H10O3/c1-4(2)8-3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
- InChI Key
- OAIRTVZAAFZBMR-UHFFFAOYSA-N
- Formula
- C5H10O3
- SMILES
- CC(C)OCC(=O)O
- Molecular Weight1
- 118.13
- CAS
- 33445-07-7
- 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).
- 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 | -621.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.496 | Crippen Calculated Property | |
| McVol | 94.620 | ml/mol | McGowan Calculated Property |
| Pc | 3819.82 | kPa | Joback Calculated Property |
| Tboil | 462.15 | K | Relay (1.0) Calculated Property |
| Tc | 629.02 | K | Relay (1.0) Calculated Property |
| Tfus | 301.62 | 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 | [207.15; 255.18] | J/mol×K | [481.49; 675.86] | 
|
| Cp,gas | 207.15 | J/mol×K | 481.49 | Joback Calculated Property |
| Cp,gas | 216.09 | J/mol×K | 513.88 | Joback Calculated Property |
| Cp,gas | 224.65 | J/mol×K | 546.28 | Joback Calculated Property |
| Cp,gas | 232.84 | J/mol×K | 578.67 | Joback Calculated Property |
| Cp,gas | 240.65 | J/mol×K | 611.07 | Joback Calculated Property |
| Cp,gas | 248.10 | J/mol×K | 643.46 | Joback Calculated Property |
| Cp,gas | 255.18 | J/mol×K | 675.86 | Joback Calculated Property |
| η | [0.0002504; 0.0016665] | Pa×s | [313.94; 481.49] |
|
| η | 0.0016665 | Pa×s | 313.94 | Joback Calculated Property |
| η | 0.0010680 | Pa×s | 341.87 | Joback Calculated Property |
| η | 0.0007320 | Pa×s | 369.79 | Joback Calculated Property |
| η | 0.0005291 | Pa×s | 397.72 | Joback Calculated Property |
| η | 0.0003990 | Pa×s | 425.64 | Joback Calculated Property |
| η | 0.0003116 | Pa×s | 453.56 | Joback Calculated Property |
| η | 0.0002504 | Pa×s | 481.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isopropoxyacetic acid.
Sources
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