- InChI
- InChI=1S/C8H16O2/c1-5-7(4)10-8(9)6(2)3/h6-7H,5H2,1-4H3
- InChI Key
- HLIYSUDZNWPHKZ-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCC(C)OC(=O)C(C)C
- Molecular Weight1
- 144.21
- CAS
- 23412-21-7
- Other Names
-
- 1-methylpropyl isobutyrate
- 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° | -222.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -463.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.78 | 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 | 2701.41 | kPa | Joback Calculated Property |
| Inp | [827.00; 879.00] |
|
|
| Inp | 879.00 | NIST | |
| Inp | 829.00 | NIST | |
| Inp | 827.00 | NIST | |
| I | 1057.00 | NIST | |
| Tboil | 457.85 | K | Joback Calculated Property |
| Tc | 640.65 | K | Joback Calculated Property |
| Tfus | 222.08 | K | Joback Calculated Property |
| Vc | 0.495 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.95; 350.42] | J/mol×K | [457.85; 640.65] |
|
| Cp,gas | 279.95 | J/mol×K | 457.85 | Joback Calculated Property |
| Cp,gas | 292.89 | J/mol×K | 488.32 | Joback Calculated Property |
| Cp,gas | 305.35 | J/mol×K | 518.78 | Joback Calculated Property |
| Cp,gas | 317.32 | J/mol×K | 549.25 | Joback Calculated Property |
| Cp,gas | 328.83 | J/mol×K | 579.72 | Joback Calculated Property |
| Cp,gas | 339.86 | J/mol×K | 610.19 | Joback Calculated Property |
| Cp,gas | 350.42 | J/mol×K | 640.65 | Joback Calculated Property |
| η | [0.0002306; 0.0076048] | Pa×s | [222.08; 457.85] |
|
| η | 0.0076048 | Pa×s | 222.08 | Joback Calculated Property |
| η | 0.0027406 | Pa×s | 261.38 | Joback Calculated Property |
| η | 0.0012896 | Pa×s | 300.67 | Joback Calculated Property |
| η | 0.0007223 | Pa×s | 339.97 | Joback Calculated Property |
| η | 0.0004562 | Pa×s | 379.26 | Joback Calculated Property |
| η | 0.0003141 | Pa×s | 418.56 | Joback Calculated Property |
| η | 0.0002306 | Pa×s | 457.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-methyl-, 1-methylpropyl ester.
Sources
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