- InChI
- InChI=1S/C8H9NO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3
- InChI Key
- LFOLBPDHVGDKGJ-UHFFFAOYSA-N
- Formula
- C8H9NO3
- SMILES
- CCOc1cccc([N+](=O)[O-])c1
- Molecular Weight1
- 167.16
- CAS
- 621-52-3
- Other Names
-
- Phenetole, m-nitro-
- m-Nitrophenetole
- 1-Ethoxy-3-nitrobenzene
- 3-Nitrophenetole
- 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 | 0.5627 | Relay (1.0) Calculated Property | |
| ΔfG° | 49.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -126.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 ± 0.15 | eV | NIST |
| log10WS | -2.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.993 | Crippen Calculated Property | |
| McVol | 123.110 | ml/mol | McGowan Calculated Property |
| Pc | 3564.27 | kPa | Joback Calculated Property |
| Tboil | 542.09 | K | Relay (1.0) Calculated Property |
| Tc | 756.42 | K | Relay (1.0) Calculated Property |
| Tfus | 311.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.439 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.63; 348.07] | J/mol×K | [588.36; 829.28] | 
|
| Cp,gas | 287.63 | J/mol×K | 588.36 | Joback Calculated Property |
| Cp,gas | 299.65 | J/mol×K | 628.51 | Joback Calculated Property |
| Cp,gas | 310.86 | J/mol×K | 668.67 | Joback Calculated Property |
| Cp,gas | 321.29 | J/mol×K | 708.82 | Joback Calculated Property |
| Cp,gas | 330.96 | J/mol×K | 748.97 | Joback Calculated Property |
| Cp,gas | 339.88 | J/mol×K | 789.13 | Joback Calculated Property |
| Cp,gas | 348.07 | J/mol×K | 829.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-ethoxy-3-nitro-.
Sources
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