- InChI
- InChI=1S/C6H11IO2/c1-5(2)6(8)9-4-3-7/h5H,3-4H2,1-2H3
- InChI Key
- BFYJFIMQAZKDGX-UHFFFAOYSA-N
- Formula
- C6H11IO2
- SMILES
- CC(C)C(=O)OCCI
- Molecular Weight1
- 242.05
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4606 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -397.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.621 | Crippen Calculated Property | |
| McVol | 128.660 | ml/mol | McGowan Calculated Property |
| Pc | 3076.16 | kPa | Joback Calculated Property |
| Inp | [1111.00; 1111.00] |
|
|
| Inp | 1111.00 | NIST | |
| Inp | 1111.00 | NIST | |
| Tboil | 468.49 | K | Relay (1.0) Calculated Property |
| Tc | 683.54 | K | Relay (1.0) Calculated Property |
| Tfus | 232.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.457 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [243.25; 298.64] | J/mol×K | [487.80; 699.21] |
|
| Cp,gas | 243.25 | J/mol×K | 487.80 | Joback Calculated Property |
| Cp,gas | 253.85 | J/mol×K | 523.04 | Joback Calculated Property |
| Cp,gas | 263.88 | J/mol×K | 558.27 | Joback Calculated Property |
| Cp,gas | 273.37 | J/mol×K | 593.51 | Joback Calculated Property |
| Cp,gas | 282.32 | J/mol×K | 628.74 | Joback Calculated Property |
| Cp,gas | 290.74 | J/mol×K | 663.98 | Joback Calculated Property |
| Cp,gas | 298.64 | J/mol×K | 699.21 | Joback Calculated Property |
| η | [0.0002881; 0.0089077] | Pa×s | [242.77; 487.80] |
|
| η | 0.0089077 | Pa×s | 242.77 | Joback Calculated Property |
| η | 0.0033310 | Pa×s | 283.61 | Joback Calculated Property |
| η | 0.0015956 | Pa×s | 324.45 | Joback Calculated Property |
| η | 0.0009011 | Pa×s | 365.28 | Joback Calculated Property |
| η | 0.0005708 | Pa×s | 406.12 | Joback Calculated Property |
| η | 0.0003931 | Pa×s | 446.96 | Joback Calculated Property |
| η | 0.0002881 | Pa×s | 487.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-methyl, 2-iodoethyl ester.
Sources
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