- InChI
- InChI=1S/C10H12O5/c1-3-14-9(11)7-5-13-6-8(7)10(12)15-4-2/h5-6H,3-4H2,1-2H3
- InChI Key
- ZODFWNHYQARJLC-UHFFFAOYSA-N
- Formula
- C10H12O5
- SMILES
- CCOC(=O)c1cocc1C(=O)OCC
- Molecular Weight1
- 212.20
- CAS
- 30614-77-8
- Other Names
-
- Diethyl 3,4-furandicarboxylate
- diethyl furan-3,4-dicarboxylate
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.6823 | Relay (1.0) Calculated Property | |
| ΔfG° | -504.82 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -805.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.633 | Crippen Calculated Property | |
| McVol | 153.050 | ml/mol | McGowan Calculated Property |
| Pc | 2318.32 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 555.95 | K | Relay (1.0) Calculated Property |
| Tc | 735.08 | K | Relay (1.0) Calculated Property |
| Tfus | 274.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.598 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 428.20 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to 3,4-Furandicarboxylic acid, diethyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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