- InChI
- InChI=1S/C6H5NO5/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3H,1H3
- InChI Key
- UTLKCGPAJUYGOM-UHFFFAOYSA-N
- Formula
- C6H5NO5
- SMILES
- COC(=O)c1ccc([N+](=O)[O-])o1
- Molecular Weight1
- 171.11
- CAS
- 1874-23-3
- Other Names
-
- Methyl 5-nitro-2-furoate
- 2-Furancarboxylic acid, 5-nitro-, methyl ester
- 2-Furoic acid, 5-nitro-, methyl ester
- Methyl nitrofuroate
- Methyl 5-nitrofuroate
- Methyl 5-nitropyromucate
- Methyl 5'-nitropyromucate
- 5-Nitro-2-furoic acid methyl ester
- NSC 6457
- Methyl 5-nitro-2-furylcarboxylate
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -2605.00 ± 0.40 | kJ/mol | NIST |
| ΔfH°gas | -367.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°solid | -471.10 ± 0.40 | kJ/mol | NIST |
| log10WS | -6.10 | Crippen Calculated Property | |
| logPoct/wat | 0.974 | Crippen Calculated Property | |
| McVol | 106.670 | ml/mol | McGowan Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 104.00 ± 2.00 | kJ/mol | 303.00 | NIST |
Similar Compounds
Find more compounds similar to 5-Nitro-2-furancarboxylic acid methyl ester.
Sources
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