- InChI
- InChI=1S/C9H18O2/c1-8(2,3)7(10)11-9(4,5)6/h1-6H3
- InChI Key
- VXHFNALHLRWIIU-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CC(C)(C)OC(=O)C(C)(C)C
- Molecular Weight1
- 158.24
- CAS
- 16474-43-4
- Other Names
-
- tert-butyl pivalate
- 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° | -203.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -491.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.19 | kJ/mol | Joback Calculated Property |
| log10WS | -2.32 | Crippen Calculated Property | |
| logPoct/wat | 2.374 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2505.01 | kPa | Joback Calculated Property |
| Inp | [841.00; 841.00] |
|
|
| Inp | 841.00 | NIST | |
| Inp | 841.00 | NIST | |
| I | 939.00 | NIST | |
| Tboil | 438.15 ± 2.50 | K | NIST |
| Tc | 671.02 | K | Joback Calculated Property |
| Tfus | 268.19 | K | Joback Calculated Property |
| Vc | 0.541 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.36; 409.69] | J/mol×K | [475.15; 671.02] |
|
| Cp,gas | 328.36 | J/mol×K | 475.15 | Joback Calculated Property |
| Cp,gas | 343.99 | J/mol×K | 507.79 | Joback Calculated Property |
| Cp,gas | 358.74 | J/mol×K | 540.44 | Joback Calculated Property |
| Cp,gas | 372.64 | J/mol×K | 573.08 | Joback Calculated Property |
| Cp,gas | 385.75 | J/mol×K | 605.73 | Joback Calculated Property |
| Cp,gas | 398.08 | J/mol×K | 638.37 | Joback Calculated Property |
| Cp,gas | 409.69 | J/mol×K | 671.02 | Joback Calculated Property |
| η | [0.0002365; 0.0061612] | Pa×s | [268.19; 475.15] |
|
| η | 0.0061612 | Pa×s | 268.19 | Joback Calculated Property |
| η | 0.0026257 | Pa×s | 302.68 | Joback Calculated Property |
| η | 0.0013324 | Pa×s | 337.18 | Joback Calculated Property |
| η | 0.0007668 | Pa×s | 371.67 | Joback Calculated Property |
| η | 0.0004847 | Pa×s | 406.16 | Joback Calculated Property |
| η | 0.0003292 | Pa×s | 440.66 | Joback Calculated Property |
| η | 0.0002365 | Pa×s | 475.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2,2-dimethyl, 1,1-dimethylethyl ester.
Sources
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