- InChI
- InChI=1S/C10H10N2O5/c1-6(13)11-9-5-8(12(15)16)3-4-10(9)17-7(2)14/h3-5H,1-2H3,(H,11,13)
- InChI Key
- CVWHUMCCMQIVNR-UHFFFAOYSA-N
- Formula
- C10H10N2O5
- SMILES
-
CC(=O)Nc1cc([N+](=O)[O-])ccc1O
C(C)=O - Molecular Weight1
- 238.20
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7644 | Relay (1.0) Calculated Property | |
| ΔfG° | -111.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -478.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.478 | Crippen Calculated Property | |
| McVol | 164.410 | ml/mol | McGowan Calculated Property |
| Pc | 3291.59 | kPa | Joback Calculated Property |
| Inp | [2079.00; 2079.00] |
|
|
| Inp | 2079.00 | NIST | |
| Inp | 2079.00 | NIST | |
| Tboil | 577.38 | K | Relay (1.0) Calculated Property |
| Tc | 865.95 | K | Relay (1.0) Calculated Property |
| Tfus | 391.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.581 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.62; 495.30] | J/mol×K | [797.01; 1037.70] |
|
| Cp,gas | 449.62 | J/mol×K | 797.01 | Joback Calculated Property |
| Cp,gas | 459.54 | J/mol×K | 837.13 | Joback Calculated Property |
| Cp,gas | 468.52 | J/mol×K | 877.24 | Joback Calculated Property |
| Cp,gas | 476.56 | J/mol×K | 917.36 | Joback Calculated Property |
| Cp,gas | 483.70 | J/mol×K | 957.47 | Joback Calculated Property |
| Cp,gas | 489.94 | J/mol×K | 997.59 | Joback Calculated Property |
| Cp,gas | 495.30 | J/mol×K | 1037.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Amino-4-nitrophenol, N,O-di(acetyl)-.
Sources
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