- InChI
- InChI=1S/C11H12N2O7/c1-7(2)6-19-11(14)20-10-4-3-8(12(15)16)5-9(10)13(17)18/h3-5,7H,6H2,1-2H3
- InChI Key
- LUNFMISJQDNGJE-UHFFFAOYSA-N
- Formula
- C11H12N2O7
- SMILES
-
CC(C)COC(=O)Oc1ccc([N+](=O)[O-
])cc1[N+](=O)[O-] - Molecular Weight1
- 284.22
- 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 | 0.8640 | Relay (1.0) Calculated Property | |
| ΔfG° | -135.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -500.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.674 | Crippen Calculated Property | |
| McVol | 190.240 | ml/mol | McGowan Calculated Property |
| Pc | 2735.42 | kPa | Joback Calculated Property |
| Inp | [2021.00; 2021.00] |
|
|
| Inp | 2021.00 | NIST | |
| Inp | 2021.00 | NIST | |
| Tboil | 583.77 | K | Relay (1.0) Calculated Property |
| Tc | 848.31 | K | Relay (1.0) Calculated Property |
| Tfus | 338.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.678 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.65; 597.96] | J/mol×K | [889.67; 1140.97] |
|
| Cp,gas | 558.65 | J/mol×K | 889.67 | Joback Calculated Property |
| Cp,gas | 568.22 | J/mol×K | 931.55 | Joback Calculated Property |
| Cp,gas | 576.57 | J/mol×K | 973.44 | Joback Calculated Property |
| Cp,gas | 583.71 | J/mol×K | 1015.32 | Joback Calculated Property |
| Cp,gas | 589.66 | J/mol×K | 1057.20 | Joback Calculated Property |
| Cp,gas | 594.40 | J/mol×K | 1099.09 | Joback Calculated Property |
| Cp,gas | 597.96 | J/mol×K | 1140.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dinitrophenol, isoBOC.
Sources
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