- 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
- 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 a given temperature (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 | 0.5532 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -2169.00 ± 0.40 | kJ/mol | NIST |
| ΔfG° | -28.10 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -147.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°solid | -227.00 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 69.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.000 | Crippen Calculated Property | |
| McVol | 86.710 | ml/mol | McGowan Calculated Property |
| Pc | 5067.88 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 503.80 | K | Relay (1.0) Calculated Property |
| Tc | 772.10 | K | Relay (1.0) Calculated Property |
| Tfus | 309.00 ± 5.00 | K | NIST |
| Vc | 0.329 | m3/kmol | Relay (1.0) Calculated Property |
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
- 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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