- InChI
- InChI=1S/C3H4F2O2/c1-7-3(6)2(4)5/h2H,1H3
- InChI Key
- CSSYKHYGURSRAZ-UHFFFAOYSA-N
- Formula
- C3H4F2O2
- SMILES
- COC(=O)C(F)F
- Molecular Weight1
- 110.06
- CAS
- 433-53-4
- Other Names
-
- methyl difluoroacetate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -651.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -747.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 29.41 | kJ/mol | Joback Calculated Property |
| log10WS | -0.25 | Crippen Calculated Property | |
| logPoct/wat | 0.424 | Crippen Calculated Property | |
| McVol | 64.110 | ml/mol | McGowan Calculated Property |
| Pc | 4205.63 | kPa | Joback Calculated Property |
| Tboil | 358.50 ± 0.50 | K | NIST |
| Tc | 506.42 | K | Joback Calculated Property |
| Tfus | 181.91 | K | Joback Calculated Property |
| Vc | 0.258 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [114.78; 143.10] | J/mol×K | [342.43; 506.42] | 
|
| Cp,gas | 114.78 | J/mol×K | 342.43 | Joback Calculated Property |
| Cp,gas | 119.80 | J/mol×K | 369.76 | Joback Calculated Property |
| Cp,gas | 124.71 | J/mol×K | 397.09 | Joback Calculated Property |
| Cp,gas | 129.49 | J/mol×K | 424.42 | Joback Calculated Property |
| Cp,gas | 134.16 | J/mol×K | 451.75 | Joback Calculated Property |
| Cp,gas | 138.69 | J/mol×K | 479.09 | Joback Calculated Property |
| Cp,gas | 143.10 | J/mol×K | 506.42 | Joback Calculated Property |
| ΔvapH | 41.90 | kJ/mol | 303.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.24; 202.64] | kPa | [273.00; 377.10] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.86708e+01 | |||
| Coefficient B | -5.03783e+03 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 377.10 | |||
| Pvap | 1.24 | kPa | 273.00 | Calculated Property |
| Pvap | 2.63 | kPa | 284.57 | Calculated Property |
| Pvap | 5.25 | kPa | 296.13 | Calculated Property |
| Pvap | 9.96 | kPa | 307.70 | Calculated Property |
| Pvap | 18.02 | kPa | 319.27 | Calculated Property |
| Pvap | 31.29 | kPa | 330.83 | Calculated Property |
| Pvap | 52.33 | kPa | 342.40 | Calculated Property |
| Pvap | 84.64 | kPa | 353.97 | Calculated Property |
| Pvap | 132.78 | kPa | 365.53 | Calculated Property |
| Pvap | 202.64 | kPa | 377.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, difluoro-, methyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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