- InChI
- InChI=1S/C7H6O3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/b4-3+
- InChI Key
- ZCJLOOJRNPHKAV-ONEGZZNKSA-N
- Formula
- C7H6O3
- SMILES
- O=C(O)C=Cc1ccco1
- Molecular Weight1
- 138.12
- CAS
- 539-47-9
- Other Names
-
- 2-Furanacrylic acid
- «beta»-(2-Furyl)acrylic acid
- Furacrylic acid
- Furanacrylic acid
- Furfurylideneacetic acid
- Furylacrylic acid
- 2-Furalacetic acid
- 3-(2-Furyl)acrylic acid
- 3-(2-Furanyl)-2-propenoic acid
- Acrylic acid, «beta»-2-furyl-
- 3-(2-Furyl)propenoic acid
- NSC 32626
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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 | 0.6444 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3153.00 | kJ/mol | NIST |
| ΔfG° | -254.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -378.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -459.00 | kJ/mol | NIST |
| ΔsubH° | [101.70; 103.00] | kJ/mol |
|
| ΔsubH° | 101.70 ± 0.50 | kJ/mol | NIST |
| ΔsubH° | 103.00 ± 0.70 | kJ/mol | NIST |
| ΔvapH° | 82.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.377 | Crippen Calculated Property | |
| McVol | 99.040 | ml/mol | McGowan Calculated Property |
| Pc | 4890.78 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 559.20 | K | NIST |
| Tc | 722.40 | K | Relay (1.0) Calculated Property |
| Tfus | 413.65 ± 1.00 | K | NIST |
| Vc | 0.356 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 3-(2-furanyl)-.
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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