- InChI
- InChI=1S/C5H9IO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
- InChI Key
- KZTNQOAFISZIEI-UHFFFAOYSA-N
- Formula
- C5H9IO2
- SMILES
- CCOC(=O)CCI
- Molecular Weight1
- 228.03
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4235 | Relay (1.0) Calculated Property | |
| ΔfG° | -261.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -375.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.375 | Crippen Calculated Property | |
| McVol | 114.570 | ml/mol | McGowan Calculated Property |
| Pc | 3399.94 | kPa | Joback Calculated Property |
| Inp | [1116.00; 1116.00] |
|
|
| Inp | 1116.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Tboil | 466.69 | K | Relay (1.0) Calculated Property |
| Tc | 686.47 | K | Relay (1.0) Calculated Property |
| Tfus | 253.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.410 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.16; 250.46] | J/mol×K | [465.36; 674.92] |
|
| Cp,gas | 203.16 | J/mol×K | 465.36 | Joback Calculated Property |
| Cp,gas | 212.16 | J/mol×K | 500.29 | Joback Calculated Property |
| Cp,gas | 220.71 | J/mol×K | 535.21 | Joback Calculated Property |
| Cp,gas | 228.80 | J/mol×K | 570.14 | Joback Calculated Property |
| Cp,gas | 236.46 | J/mol×K | 605.07 | Joback Calculated Property |
| Cp,gas | 243.67 | J/mol×K | 640.00 | Joback Calculated Property |
| Cp,gas | 250.46 | J/mol×K | 674.92 | Joback Calculated Property |
| η | [0.0003360; 0.0061807] | Pa×s | [246.50; 465.36] |
|
| η | 0.0061807 | Pa×s | 246.50 | Joback Calculated Property |
| η | 0.0027822 | Pa×s | 282.98 | Joback Calculated Property |
| η | 0.0015028 | Pa×s | 319.45 | Joback Calculated Property |
| η | 0.0009210 | Pa×s | 355.93 | Joback Calculated Property |
| η | 0.0006182 | Pa×s | 392.41 | Joback Calculated Property |
| η | 0.0004441 | Pa×s | 428.88 | Joback Calculated Property |
| η | 0.0003360 | Pa×s | 465.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propionic acid, 3-iodo-, ethyl ester.
Sources
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