- InChI
- InChI=1S/C10H9NO5/c1-2-16-10(13)9(12)7-3-5-8(6-4-7)11(14)15/h3-6H,2H2,1H3
- InChI Key
- ZFCXKZCKJZFZGR-UHFFFAOYSA-N
- Formula
- C10H9NO5
- SMILES
-
CCOC(=O)C(=O)c1ccc([N+](=O)[O-
])cc1 - Molecular Weight1
- 223.18
- CAS
- 70091-75-7
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (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).
- 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 | 0.7139 | Relay (1.0) Calculated Property | |
| ΔfG° | -191.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -409.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.341 | Crippen Calculated Property | |
| McVol | 154.430 | ml/mol | McGowan Calculated Property |
| Pc | 3299.15 | kPa | Joback Calculated Property |
| Tboil | 577.72 | K | Relay (1.0) Calculated Property |
| Tc | 813.96 | K | Relay (1.0) Calculated Property |
| Tfus | 355.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.558 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.65; 454.33] | J/mol×K | [741.86; 984.55] | 
|
| Cp,gas | 404.65 | J/mol×K | 741.86 | Joback Calculated Property |
| Cp,gas | 415.18 | J/mol×K | 782.31 | Joback Calculated Property |
| Cp,gas | 424.79 | J/mol×K | 822.76 | Joback Calculated Property |
| Cp,gas | 433.48 | J/mol×K | 863.20 | Joback Calculated Property |
| Cp,gas | 441.29 | J/mol×K | 903.65 | Joback Calculated Property |
| Cp,gas | 448.23 | J/mol×K | 944.10 | Joback Calculated Property |
| Cp,gas | 454.33 | J/mol×K | 984.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 4-nitrobenzoylformate.
Sources
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