- InChI
- InChI=1S/C4H7IO2/c1-2-7-4(6)3-5/h2-3H2,1H3
- InChI Key
- MFFXVVHUKRKXCI-UHFFFAOYSA-N
- Formula
- C4H7IO2
- SMILES
- CCOC(=O)CI
- Molecular Weight1
- 214.00
- CAS
- 623-48-3
- Other Names
-
- Acetic acid, iodo-, ethyl ester
- Ethyl monoiodoacetate
- Iodoacetic acid, ethyl ester
- S 9
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3783 | Relay (1.0) Calculated Property | |
| ΔfG° | -193.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -351.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.984 | Crippen Calculated Property | |
| McVol | 100.480 | ml/mol | McGowan Calculated Property |
| Pc | 4015.93 | kPa | Joback Calculated Property |
| Inp | 960.50 | NIST | |
| Tboil | 452.20 | K | NIST |
| Tc | 674.44 | K | Relay (1.0) Calculated Property |
| Tfus | 282.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.354 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.84; 205.39] | J/mol×K | [460.35; 676.34] | 
|
| Cp,gas | 166.84 | J/mol×K | 460.35 | Joback Calculated Property |
| Cp,gas | 174.08 | J/mol×K | 496.35 | Joback Calculated Property |
| Cp,gas | 180.99 | J/mol×K | 532.35 | Joback Calculated Property |
| Cp,gas | 187.57 | J/mol×K | 568.35 | Joback Calculated Property |
| Cp,gas | 193.82 | J/mol×K | 604.35 | Joback Calculated Property |
| Cp,gas | 199.76 | J/mol×K | 640.34 | Joback Calculated Property |
| Cp,gas | 205.39 | J/mol×K | 676.34 | Joback Calculated Property |
| η | [0.0003904; 0.0037331] | Pa×s | [265.06; 460.35] |
|
| η | 0.0037331 | Pa×s | 265.06 | Joback Calculated Property |
| η | 0.0020858 | Pa×s | 297.61 | Joback Calculated Property |
| η | 0.0013071 | Pa×s | 330.16 | Joback Calculated Property |
| η | 0.0008908 | Pa×s | 362.71 | Joback Calculated Property |
| η | 0.0006466 | Pa×s | 395.25 | Joback Calculated Property |
| η | 0.0004929 | Pa×s | 427.80 | Joback Calculated Property |
| η | 0.0003904 | Pa×s | 460.35 | Joback Calculated Property |
| ΔvapH | 52.10 | kJ/mol | 331.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 346.20 | K | 2.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [344.55; 475.94] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.84853e+01 | |||
| Coefficient B | -6.26994e+03 | |||
| Temperature range, min. | 344.55 | |||
| Temperature range, max. | 475.94 | |||
| Pvap | 1.33 | kPa | 344.55 | Calculated Property |
| Pvap | 2.79 | kPa | 359.15 | Calculated Property |
| Pvap | 5.53 | kPa | 373.75 | Calculated Property |
| Pvap | 10.38 | kPa | 388.35 | Calculated Property |
| Pvap | 18.63 | kPa | 402.95 | Calculated Property |
| Pvap | 32.11 | kPa | 417.54 | Calculated Property |
| Pvap | 53.32 | kPa | 432.14 | Calculated Property |
| Pvap | 85.67 | kPa | 446.74 | Calculated Property |
| Pvap | 133.57 | kPa | 461.34 | Calculated Property |
| Pvap | 202.65 | kPa | 475.94 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl iodoacetate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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