- InChI
- InChI=1S/C12H13FO4/c1-2-16-11(14)6-7-12(15)17-10-5-3-4-9(13)8-10/h3-5,8H,2,6-7H2,1H3
- InChI Key
- VEYNJCGALGCMGL-UHFFFAOYSA-N
- Formula
- C12H13FO4
- SMILES
- CCOC(=O)CCC(=O)Oc1cccc(F)c1
- Molecular Weight1
- 240.23
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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° | -509.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -751.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.74 | kJ/mol | Joback Calculated Property |
| log10WS | -2.65 | Crippen Calculated Property | |
| logPoct/wat | 2.074 | Crippen Calculated Property | |
| McVol | 172.830 | ml/mol | McGowan Calculated Property |
| Pc | 2482.59 | kPa | Joback Calculated Property |
| Inp | [1621.00; 1621.00] |
|
|
| Inp | 1621.00 | NIST | |
| Inp | 1621.00 | NIST | |
| Tboil | 657.47 | K | Joback Calculated Property |
| Tc | 860.46 | K | Joback Calculated Property |
| Tfus | 408.85 | K | Joback Calculated Property |
| Vc | 0.665 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.57; 509.70] | J/mol×K | [657.47; 860.46] |
|
| Cp,gas | 444.57 | J/mol×K | 657.47 | Joback Calculated Property |
| Cp,gas | 457.30 | J/mol×K | 691.30 | Joback Calculated Property |
| Cp,gas | 469.28 | J/mol×K | 725.13 | Joback Calculated Property |
| Cp,gas | 480.50 | J/mol×K | 758.97 | Joback Calculated Property |
| Cp,gas | 490.98 | J/mol×K | 792.80 | Joback Calculated Property |
| Cp,gas | 500.72 | J/mol×K | 826.63 | Joback Calculated Property |
| Cp,gas | 509.70 | J/mol×K | 860.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, ethyl 3-fluorophenyl ester.
Sources
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