- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.87; 346.69] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.28520e+01 | |||
| Coefficient B | 5.63940e-01 | |||
| Coefficient C | -2.92600e-04 | |||
| Coefficient D | 4.25000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 165.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 197.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 226.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 251.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 274.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 293.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 310.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 325.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 337.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 346.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0089077; 0.0002848] | Pa×s | [242.77; 489.45] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.15518e+01 | |||
| Coefficient B | 1.65836e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 242.77 | |||
| Temperature range, max. | 489.45 | |||
| η | 0.0089077 | Pa×s | 242.77 | Calculated Property |
| η | 0.0044546 | Pa×s | 270.18 | Calculated Property |
| η | 0.0025310 | Pa×s | 297.59 | Calculated Property |
| η | 0.0015819 | Pa×s | 325.00 | Calculated Property |
| η | 0.0010637 | Pa×s | 352.40 | Calculated Property |
| η | 0.0007574 | Pa×s | 379.81 | Calculated Property |
| η | 0.0005646 | Pa×s | 407.22 | Calculated Property |
| η | 0.0004367 | Pa×s | 434.63 | Calculated Property |
| η | 0.0003482 | Pa×s | 462.04 | Calculated Property |
| η | 0.0002848 | Pa×s | 489.45 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-methyl, 2-iodoethyl ester.
Sources
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