- InChI
- InChI=1S/C3H5IO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
- InChI Key
- KMRNTNDWADEIIX-UHFFFAOYSA-N
- Formula
- C3H5IO2
- SMILES
- O=C(O)CCI
- Molecular Weight1
- 199.98
- Other Names
-
- 3-Iodopropanoic acid
- 3-Iodopropionic acid
- Beta-iodopropionic acid
- Propionic acid, 3-iodo-
- «beta»-Iodopropionic acid
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- 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 | 0.6208 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -1435.10 ± 5.00 | kJ/mol | NIST |
| ΔfG° | -311.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -357.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -460.00 ± 5.00 | kJ/mol | NIST |
| ΔfusH° | 18.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.43 | Aq. Solubility Prediction | |
| logPoct/wat | 0.896 | Crippen Calculated Property | |
| McVol | 86.390 | ml/mol | McGowan Calculated Property |
| Pc | 4829.24 | kPa | Joback Calculated Property |
| Tboil | 507.42 | K | Relay (1.0) Calculated Property |
| Tc | 772.53 | K | Relay (1.0) Calculated Property |
| Tfus | 354.90 | K | Aq. Solubility Prediction |
| Vc | 0.298 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [145.01; 173.07] | J/mol×K | [506.89; 736.69] | 
|
| Cp,gas | 145.01 | J/mol×K | 506.89 | Joback Calculated Property |
| Cp,gas | 150.63 | J/mol×K | 545.19 | Joback Calculated Property |
| Cp,gas | 155.83 | J/mol×K | 583.49 | Joback Calculated Property |
| Cp,gas | 160.64 | J/mol×K | 621.79 | Joback Calculated Property |
| Cp,gas | 165.10 | J/mol×K | 660.09 | Joback Calculated Property |
| Cp,gas | 169.23 | J/mol×K | 698.39 | Joback Calculated Property |
| Cp,gas | 173.07 | J/mol×K | 736.69 | Joback Calculated Property |
| η | [0.0004457; 0.0022747] | Pa×s | [342.23; 506.89] |
|
| η | 0.0022747 | Pa×s | 342.23 | Joback Calculated Property |
| η | 0.0015673 | Pa×s | 369.67 | Joback Calculated Property |
| η | 0.0011369 | Pa×s | 397.12 | Joback Calculated Property |
| η | 0.0008597 | Pa×s | 424.56 | Joback Calculated Property |
| η | 0.0006725 | Pa×s | 452.00 | Joback Calculated Property |
| η | 0.0005410 | Pa×s | 479.45 | Joback Calculated Property |
| η | 0.0004457 | Pa×s | 506.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-iodo-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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