- InChI
- InChI=1S/C3H5FO2/c1-6-3(5)2-4/h2H2,1H3
- InChI Key
- RJBYSQHLLIHSLT-UHFFFAOYSA-N
- Formula
- C3H5FO2
- SMILES
- COC(=O)CF
- Molecular Weight1
- 92.07
- CAS
- 453-18-9
- Other Names
-
- Acetic acid, fluoro-, methyl ester
- Fluoracetic acid methyl ester
- Fluoroacetic acid, methyl ester
- MFA
- Methylester kyseliny fluoroctove
- TL 551
- 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).
- 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).
- 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 | 0.3585 | Relay (1.0) Calculated Property | |
| ΔfG° | -454.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.40 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.129 | Crippen Calculated Property | |
| McVol | 62.340 | ml/mol | McGowan Calculated Property |
| Pc | 4414.96 | kPa | Joback Calculated Property |
| Tboil | 377.70 | K | NIST |
| Tc | 523.74 | K | Relay (1.0) Calculated Property |
| Tfus | 207.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.231 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [106.62; 135.13] | J/mol×K | [343.60; 513.10] | 
|
| Cp,gas | 106.62 | J/mol×K | 343.60 | Joback Calculated Property |
| Cp,gas | 111.64 | J/mol×K | 371.85 | Joback Calculated Property |
| Cp,gas | 116.56 | J/mol×K | 400.10 | Joback Calculated Property |
| Cp,gas | 121.38 | J/mol×K | 428.35 | Joback Calculated Property |
| Cp,gas | 126.08 | J/mol×K | 456.60 | Joback Calculated Property |
| Cp,gas | 130.67 | J/mol×K | 484.85 | Joback Calculated Property |
| Cp,gas | 135.13 | J/mol×K | 513.10 | Joback Calculated Property |
| ΔvapH | 42.70 | kJ/mol | 303.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.56; 202.63] | kPa | [273.00; 397.96] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.81981e+01 | |||
| Coefficient B | -5.12838e+03 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 397.96 | |||
| Pvap | 0.56 | kPa | 273.00 | Calculated Property |
| Pvap | 1.38 | kPa | 286.88 | Calculated Property |
| Pvap | 3.15 | kPa | 300.77 | Calculated Property |
| Pvap | 6.68 | kPa | 314.65 | Calculated Property |
| Pvap | 13.31 | kPa | 328.54 | Calculated Property |
| Pvap | 25.06 | kPa | 342.42 | Calculated Property |
| Pvap | 44.92 | kPa | 356.31 | Calculated Property |
| Pvap | 77.07 | kPa | 370.19 | Calculated Property |
| Pvap | 127.17 | kPa | 384.08 | Calculated Property |
| Pvap | 202.63 | kPa | 397.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl fluoroacetate.
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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