- InChI
- InChI=1S/C9H11NO4/c1-13-9(14-2)7-5-3-4-6-8(7)10(11)12/h3-6,9H,1-2H3
- InChI Key
- OAPZTGKQZKPVPF-UHFFFAOYSA-N
- Formula
- C9H11NO4
- SMILES
- COC(OC)c1ccccc1[N+](=O)[O-]
- Molecular Weight1
- 197.19
- CAS
- 20627-73-0
- 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).
- 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 | 0.5517 | Relay (1.0) Calculated Property | |
| ΔfG° | -49.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -262.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.886 | Crippen Calculated Property | |
| McVol | 143.070 | ml/mol | McGowan Calculated Property |
| Pc | 3156.17 | kPa | Joback Calculated Property |
| Tboil | 548.20 | K | NIST |
| Tc | 783.15 | K | Relay (1.0) Calculated Property |
| Tfus | 302.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.503 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.19; 423.35] | J/mol×K | [633.22; 870.66] | 
|
| Cp,gas | 358.19 | J/mol×K | 633.22 | Joback Calculated Property |
| Cp,gas | 371.21 | J/mol×K | 672.79 | Joback Calculated Property |
| Cp,gas | 383.37 | J/mol×K | 712.37 | Joback Calculated Property |
| Cp,gas | 394.66 | J/mol×K | 751.94 | Joback Calculated Property |
| Cp,gas | 405.08 | J/mol×K | 791.51 | Joback Calculated Property |
| Cp,gas | 414.65 | J/mol×K | 831.09 | Joback Calculated Property |
| Cp,gas | 423.35 | J/mol×K | 870.66 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 411.70 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-(dimethoxymethyl)-2-nitro-.
Sources
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