- 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
-
- Ethyl iodoacetate
- 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° | -269.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -351.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.20 | 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 | 3815.10 | kPa | Joback Calculated Property |
| Inp | 960.50 | NIST | |
| Tboil | 452.20 | K | NIST |
| Tc | 685.43 | K | Relay (1.0) Calculated Property |
| Tfus | 274.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.360 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|
| Cp,gas | [123.75; 242.97] | 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 | 3.63520e+01 | |||
| Coefficient B | 3.68020e-01 | |||
| Coefficient C | -1.80600e-04 | |||
| Coefficient D | 1.92000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 123.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 144.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 163.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 180.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 195.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 208.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 219.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 229.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 236.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 242.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0063811; 0.0003292] | Pa×s | [235.23; 458.42] |
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 | -1.11430e+01 | |||
| Coefficient B | 1.43222e+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. | 235.23 | |||
| Temperature range, max. | 458.42 | |||
| η | 0.0063811 | Pa×s | 235.23 | Calculated Property |
| η | 0.0035703 | Pa×s | 260.03 | Calculated Property |
| η | 0.0022102 | Pa×s | 284.83 | Calculated Property |
| η | 0.0014775 | Pa×s | 309.63 | Calculated Property |
| η | 0.0010485 | Pa×s | 334.43 | Calculated Property |
| η | 0.0007801 | Pa×s | 359.23 | Calculated Property |
| η | 0.0006030 | Pa×s | 384.03 | Calculated Property |
| η | 0.0004809 | Pa×s | 408.82 | Calculated Property |
| η | 0.0003936 | Pa×s | 433.62 | Calculated Property |
| η | 0.0003292 | Pa×s | 458.42 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [344.55; 475.94] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.84853e+01 | |||
| Coefficient B | -6.26994e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| 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 Acetic acid, iodo-, ethyl ester.
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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