- InChI
- InChI=1S/C5H3NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H
- InChI Key
- SXINBFXPADXIEY-UHFFFAOYSA-N
- Formula
- C5H3NO4
- SMILES
- O=Cc1ccc([N+](=O)[O-])o1
- Molecular Weight1
- 141.08
- CAS
- 698-63-5
- Other Names
-
- 2-Furaldehyde, 5-nitro-
- Furfural, 5-nitro-
- 5-Nitro-2-furaldehyde
- 5-Nitro-2-furancarboxaldehyde
- 5-Nitrofurfural
- 5-Nitrofurfuraldehyde
- 5-Furancarboxaldehyde, 5-nitro-
- Nitrofurfural
- NSC 111144
- NSC 5574
- 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 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).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -2169.00 ± 0.40 | kJ/mol | NIST |
| ΔfH°gas | -147.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°solid | -227.00 ± 0.40 | kJ/mol | NIST |
| log10WS | -6.10 | Crippen Calculated Property | |
| logPoct/wat | 1.000 | Crippen Calculated Property | |
| McVol | 86.710 | ml/mol | McGowan Calculated Property |
| Tfus | 309.00 ± 5.00 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 79.00 ± 3.00 | kJ/mol | 283.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 403.20 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to 2-Furancarboxaldehyde, 5-nitro-.
Sources
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