- InChI
- InChI=1S/C7H13IO2/c1-6(2)5-10-7(9)3-4-8/h6H,3-5H2,1-2H3
- InChI Key
- UKMGYUDNQFXVMF-UHFFFAOYSA-N
- Formula
- C7H13IO2
- SMILES
- CC(C)COC(=O)CCI
- Molecular Weight1
- 256.08
- 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° | -170.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.32 | kJ/mol | Joback Calculated Property |
| log10WS | -2.32 | Crippen Calculated Property | |
| logPoct/wat | 2.011 | Crippen Calculated Property | |
| McVol | 142.750 | ml/mol | McGowan Calculated Property |
| Pc | 2896.73 | kPa | Joback Calculated Property |
| Inp | [1274.00; 1274.00] |
|
|
| Inp | 1274.00 | NIST | |
| Inp | 1274.00 | NIST | |
| Tboil | 528.55 | K | Joback Calculated Property |
| Tc | 739.58 | K | Joback Calculated Property |
| Tfus | 283.87 | K | Joback Calculated Property |
| Vc | 0.533 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.34; 348.49] | J/mol×K | [528.55; 739.58] |
|
| Cp,gas | 288.34 | J/mol×K | 528.55 | Joback Calculated Property |
| Cp,gas | 299.75 | J/mol×K | 563.72 | Joback Calculated Property |
| Cp,gas | 310.60 | J/mol×K | 598.89 | Joback Calculated Property |
| Cp,gas | 320.88 | J/mol×K | 634.07 | Joback Calculated Property |
| Cp,gas | 330.61 | J/mol×K | 669.24 | Joback Calculated Property |
| Cp,gas | 339.81 | J/mol×K | 704.41 | Joback Calculated Property |
| Cp,gas | 348.49 | J/mol×K | 739.58 | Joback Calculated Property |
| η | [0.0002776; 0.0046711] | Pa×s | [283.87; 528.55] |
|
| η | 0.0046711 | Pa×s | 283.87 | Joback Calculated Property |
| η | 0.0021715 | Pa×s | 324.65 | Joback Calculated Property |
| η | 0.0011976 | Pa×s | 365.43 | Joback Calculated Property |
| η | 0.0007444 | Pa×s | 406.21 | Joback Calculated Property |
| η | 0.0005046 | Pa×s | 446.99 | Joback Calculated Property |
| η | 0.0003650 | Pa×s | 487.77 | Joback Calculated Property |
| η | 0.0002776 | Pa×s | 528.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propionic acid, 3-iodo-, isobutyl ester.
Sources
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