- InChI
- InChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6H/b3-1+
- InChI Key
- VZIRCHXYMBFNFD-HNQUOIGGSA-N
- Formula
- C7H6O2
- SMILES
- O=CC=Cc1ccco1
- Molecular Weight1
- 122.12
- CAS
- 623-30-3
- Other Names
-
- 2-Furanacrolein
- 3-(«alpha»-Furyl)propenal
- 3-(2-Furyl)acrolein
- 3-(2-Furyl)-2-propenal
- «beta»-(2-Furyl)acrolein
- 3-(2-Furanyl)-2-propenal
- NSC 2061
- NSC 26338
- 1-(2-furanyl)-1-propen-3-al
- 3-(2-furyl)acrylaldehyde
- ΔcH°solid : Standard solid enthalpy of combustion (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).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -3430.00 ± 0.80 | kJ/mol | NIST |
| ΔfH°gas | -106.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°solid | -182.00 ± 0.80 | kJ/mol | NIST |
| ΔsubH° | 76.00 | kJ/mol | NIST |
| log10WS | -5.73 | Crippen Calculated Property | |
| logPoct/wat | 1.492 | Crippen Calculated Property | |
| McVol | 93.170 | ml/mol | McGowan Calculated Property |
| Inp | 1111.00 | NIST | |
| I | [1831.00; 1851.00] |
|
|
| I | 1831.00 | NIST | |
| I | 1839.00 | NIST | |
| I | 1839.00 | NIST | |
| I | 1851.00 | NIST | |
| I | 1831.00 | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 76.00 ± 2.00 | kJ/mol | 289.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Propenal, 3-(2-furanyl)-.
Sources
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