- InChI
- InChI=1S/C4H7FO2/c1-2-7-4(6)3-5/h2-3H2,1H3
- InChI Key
- VCYZVXRKYPKDQB-UHFFFAOYSA-N
- Formula
- C4H7FO2
- SMILES
- CCOC(=O)CF
- Molecular Weight1
- 106.10
- CAS
- 459-72-3
- Other Names
-
- Ethyl fluoroacetate
- Ethyl monofluoroacetate
- Ethylester kyseliny fluoroctove
- Fluoracetic acid ethyl ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Pvap : Vapor 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 | 0.3902 | Relay (1.0) Calculated Property | |
| ΔfG° | -445.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -630.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.519 | Crippen Calculated Property | |
| McVol | 76.430 | ml/mol | McGowan Calculated Property |
| Pc | 3901.37 | kPa | Joback Calculated Property |
| Tboil | 388.60 | K | Relay (1.0) Calculated Property |
| Tc | 541.91 | K | Relay (1.0) Calculated Property |
| Tfus | 216.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.290 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [137.88; 174.87] | J/mol×K | [366.48; 535.95] | 
|
| Cp,gas | 137.88 | J/mol×K | 366.48 | Joback Calculated Property |
| Cp,gas | 144.48 | J/mol×K | 394.72 | Joback Calculated Property |
| Cp,gas | 150.91 | J/mol×K | 422.97 | Joback Calculated Property |
| Cp,gas | 157.16 | J/mol×K | 451.21 | Joback Calculated Property |
| Cp,gas | 163.25 | J/mol×K | 479.46 | Joback Calculated Property |
| Cp,gas | 169.15 | J/mol×K | 507.70 | Joback Calculated Property |
| Cp,gas | 174.87 | J/mol×K | 535.95 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.36; 202.64] | kPa | [273.00; 415.62] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.74382e+01 | |||
| Coefficient B | -5.04013e+03 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 415.62 | |||
| Pvap | 0.36 | kPa | 273.00 | Calculated Property |
| Pvap | 0.99 | kPa | 288.85 | Calculated Property |
| Pvap | 2.45 | kPa | 304.69 | Calculated Property |
| Pvap | 5.55 | kPa | 320.54 | Calculated Property |
| Pvap | 11.65 | kPa | 336.39 | Calculated Property |
| Pvap | 22.85 | kPa | 352.23 | Calculated Property |
| Pvap | 42.32 | kPa | 368.08 | Calculated Property |
| Pvap | 74.47 | kPa | 383.93 | Calculated Property |
| Pvap | 125.30 | kPa | 399.77 | Calculated Property |
| Pvap | 202.64 | kPa | 415.62 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, fluoro-, 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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