- InChI
- InChI=1S/C7H8O3/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)
- InChI Key
- XLTJXJJMUFDQEZ-UHFFFAOYSA-N
- Formula
- C7H8O3
- SMILES
- O=C(O)CCc1ccco1
- Molecular Weight1
- 140.14
- CAS
- 935-13-7
- Other Names
-
- 2-Furanpropanoic acid
- furan-2-propionic acid
- 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).
- 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 | 0.6868 | Relay (... Calculated Property | |
| ΔfG° | -297.82 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -445.48 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 83.52 | kJ/mol | Relay (... Calculated Property |
| IE | 8.82 | eV | Relay (... Calculated Property |
| log10WS | -0.47 | Relay (... Calculated Property | |
| logPoct/wat | 1.297 | Crippen Calculated Property | |
| McVol | 103.340 | ml/mol | McGowan Calculated Property |
| Pc | 4384.44 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 520.49 | K | Relay (... Calculated Property |
| Tc | 723.78 | K | Relay (... Calculated Property |
| Tfus | 351.26 | K | Relay (... Calculated Property |
| Vc | 0.389 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Furanpropionic acid.
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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