- InChI
- InChI=1S/C7H11FO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
- InChI Key
- GOWQBFVDZPZZFA-UHFFFAOYSA-N
- Formula
- C7H11FO4
- SMILES
- CCOC(=O)C(F)C(=O)OCC
- Molecular Weight1
- 178.16
- CAS
- 685-88-1
- Other Names
-
- Ethyl fluoromalonate
- Fluoromalonic acid diethyl ester
- Malonic acid, fluoro-, diethyl ester
- Monofluoromalonic acid diethyl ester
- Propanedioic acid, fluoro-, diethyl 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).
- 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 | 0.5001 | Relay (1.0) Calculated Property | |
| ΔfG° | -809.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1031.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.451 | Crippen Calculated Property | |
| McVol | 126.140 | ml/mol | McGowan Calculated Property |
| Pc | 2721.17 | kPa | Joback Calculated Property |
| Tboil | 466.71 | K | Relay (1.0) Calculated Property |
| Tc | 625.51 | K | Relay (1.0) Calculated Property |
| Tfus | 258.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.483 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 383.50 ± 0.50 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.54; 404.29] | 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 | 5.17520e+01 | |||
| Coefficient B | 5.76940e-01 | |||
| Coefficient C | -1.87400e-04 | |||
| Coefficient D | -3.70000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 194.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 230.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 264.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 294.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 321.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 344.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 365.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 381.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 395.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 404.29 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl fluoromalonate.
Sources
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