- InChI
- InChI=1S/C4H5IO2/c1-7-4(6)2-3-5/h2-3H,1H3/b3-2+
- InChI Key
- SUQXOFVGKSUSSM-NSCUHMNNSA-N
- Formula
- C4H5IO2
- SMILES
- COC(=O)C=CI
- Molecular Weight1
- 211.99
- CAS
- 6213-88-3
- 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).
- 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° | -112.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -176.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.98 | kJ/mol | Joback Calculated Property |
| log10WS | -1.66 | Crippen Calculated Property | |
| logPoct/wat | 1.108 | Crippen Calculated Property | |
| McVol | 96.180 | ml/mol | McGowan Calculated Property |
| Pc | 4294.29 | kPa | Joback Calculated Property |
| Tboil | 464.51 | K | Joback Calculated Property |
| Tc | 691.60 | K | Joback Calculated Property |
| Tfus | 259.98 | K | Joback Calculated Property |
| Vc | 0.351 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.47; 182.93] | J/mol×K | [464.51; 691.60] | 
|
| Cp,gas | 149.47 | J/mol×K | 464.51 | Joback Calculated Property |
| Cp,gas | 155.98 | J/mol×K | 502.36 | Joback Calculated Property |
| Cp,gas | 162.09 | J/mol×K | 540.21 | Joback Calculated Property |
| Cp,gas | 167.82 | J/mol×K | 578.06 | Joback Calculated Property |
| Cp,gas | 173.19 | J/mol×K | 615.90 | Joback Calculated Property |
| Cp,gas | 178.22 | J/mol×K | 653.75 | Joback Calculated Property |
| Cp,gas | 182.93 | J/mol×K | 691.60 | Joback Calculated Property |
| η | [0.0003280; 0.0034362] | Pa×s | [259.98; 464.51] |
|
| η | 0.0034362 | Pa×s | 259.98 | Joback Calculated Property |
| η | 0.0018514 | Pa×s | 294.07 | Joback Calculated Property |
| η | 0.0011343 | Pa×s | 328.16 | Joback Calculated Property |
| η | 0.0007620 | Pa×s | 362.25 | Joback Calculated Property |
| η | 0.0005482 | Pa×s | 396.33 | Joback Calculated Property |
| η | 0.0004155 | Pa×s | 430.42 | Joback Calculated Property |
| η | 0.0003280 | Pa×s | 464.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans Methyl 3-iodo-2-propenoate.
Sources
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