- InChI
- InChI=1S/C4H3NO3/c6-5(7)4-2-1-3-8-4/h1-3H
- InChI Key
- FUBFWTUFPGFHOJ-UHFFFAOYSA-N
- Formula
- C4H3NO3
- SMILES
- O=[N+]([O-])c1ccco1
- Molecular Weight1
- 113.07
- CAS
- 609-39-2
- Other Names
-
- Furan, 2-nitro-
- Nitrofuran
- 5-Nitrofuran
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -1899.00 ± 0.40 | kJ/mol | NIST |
| ΔfH°gas | -29.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°solid | -104.00 ± 0.40 | kJ/mol | NIST |
| IE | [9.75; 10.04] | eV |
|
| IE | 10.04 ± 0.05 | eV | NIST |
| IE | 9.75 ± 0.05 | eV | NIST |
| log10WS | -5.86 | Crippen Calculated Property | |
| logPoct/wat | 1.188 | Crippen Calculated Property | |
| McVol | 71.050 | ml/mol | McGowan Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 75.00 ± 2.00 | kJ/mol | 277.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 357.20 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to 2-Nitrofuran.
Sources
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