- InChI
- InChI=1S/C12H13N3O8/c16-11(17)3-1-2-9(12(18)19)13-8-5-4-7(14(20)21)6-10(8)15(22)23/h4-6,9,13H,1-3H2,(H,16,17)(H,18,19)
- InChI Key
- PQJNHNKWSGOOGA-UHFFFAOYSA-N
- Formula
- C12H13N3O8
- SMILES
-
O=C(O)CCCC(Nc1ccc([N+](=O)[O-]
)cc1[N+](=O)[O-])C(=O)O - Molecular Weight1
- 327.25
- CAS
- 91719-59-4
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -230.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -580.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.19 | Crippen Calculated Property | |
| logPoct/wat | 1.623 | Crippen Calculated Property | |
| McVol | 215.880 | ml/mol | McGowan Calculated Property |
| Pc | 3403.91 | kPa | Joback Calculated Property |
| Tboil | 1156.11 | K | Joback Calculated Property |
| Tc | 1415.40 | K | Joback Calculated Property |
| Tfus | 822.84 | K | Joback Calculated Property |
| Vc | 0.843 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [683.66; 703.77] | J/mol×K | [1156.11; 1415.40] | 
|
| Cp,gas | 683.66 | J/mol×K | 1156.11 | Joback Calculated Property |
| Cp,gas | 688.51 | J/mol×K | 1199.33 | Joback Calculated Property |
| Cp,gas | 692.66 | J/mol×K | 1242.54 | Joback Calculated Property |
| Cp,gas | 696.19 | J/mol×K | 1285.76 | Joback Calculated Property |
| Cp,gas | 699.16 | J/mol×K | 1328.97 | Joback Calculated Property |
| Cp,gas | 701.66 | J/mol×K | 1372.19 | Joback Calculated Property |
| Cp,gas | 703.77 | J/mol×K | 1415.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Alpha-(2,4-dinitrophenylamino) adipic acid.
Sources
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