- InChI
- InChI=1S/C8H16O2/c1-6(2)7(9)10-8(3,4)5/h6H,1-5H3
- InChI Key
- KVWOTUDBCFBGFJ-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CC(C)C(=O)OC(C)(C)C
- Molecular Weight1
- 144.21
- CAS
- 16889-72-8
- Other Names
-
- Propanoic acid, 2-methyl-, 1,1-dimethylethyl ester
- 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.
- I : 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° | -217.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -467.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.87 | kJ/mol | Joback Calculated Property |
| log10WS | -1.90 | Crippen Calculated Property | |
| logPoct/wat | 1.984 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2732.56 | kPa | Joback Calculated Property |
| Inp | [763.00; 816.00] |
|
|
| Inp | 816.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 816.00 | NIST | |
| I | [956.00; 956.00] |
|
|
| I | 956.00 | NIST | |
| I | 956.00 | NIST | |
| Tboil | 455.06 | K | Joback Calculated Property |
| Tc | 645.31 | K | Joback Calculated Property |
| Tfus | 239.50 | K | Joback Calculated Property |
| Vc | 0.490 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.43; 355.83] | J/mol×K | [455.06; 645.31] |
|
| Cp,gas | 282.43 | J/mol×K | 455.06 | Joback Calculated Property |
| Cp,gas | 296.22 | J/mol×K | 486.77 | Joback Calculated Property |
| Cp,gas | 309.37 | J/mol×K | 518.48 | Joback Calculated Property |
| Cp,gas | 321.89 | J/mol×K | 550.18 | Joback Calculated Property |
| Cp,gas | 333.80 | J/mol×K | 581.89 | Joback Calculated Property |
| Cp,gas | 345.10 | J/mol×K | 613.60 | Joback Calculated Property |
| Cp,gas | 355.83 | J/mol×K | 645.31 | Joback Calculated Property |
| η | [0.0002462; 0.0072531] | Pa×s | [239.50; 455.06] |
|
| η | 0.0072531 | Pa×s | 239.50 | Joback Calculated Property |
| η | 0.0028574 | Pa×s | 275.43 | Joback Calculated Property |
| η | 0.0013957 | Pa×s | 311.35 | Joback Calculated Property |
| η | 0.0007906 | Pa×s | 347.28 | Joback Calculated Property |
| η | 0.0004982 | Pa×s | 383.21 | Joback Calculated Property |
| η | 0.0003399 | Pa×s | 419.13 | Joback Calculated Property |
| η | 0.0002462 | Pa×s | 455.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyric acid, tert-butyl ester.
Sources
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