- InChI
- InChI=1S/C9H11N3O5/c1-10(2)5-6-3-7(11(14)15)4-8(9(6)13)12(16)17/h3-4,13H,5H2,1-2H3
- InChI Key
- DMNVKQMHEBSETA-UHFFFAOYSA-N
- Formula
- C9H11N3O5
- SMILES
-
CN(C)Cc1cc([N+](=O)[O-])cc([N+
](=O)[O-])c1O - Molecular Weight1
- 241.20
- CAS
- 69245-80-3
- 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° | 145.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -146.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.47 | kJ/mol | Joback Calculated Property |
| log10WS | -2.61 | Crippen Calculated Property | |
| logPoct/wat | 1.270 | Crippen Calculated Property | |
| McVol | 164.600 | ml/mol | McGowan Calculated Property |
| Pc | 3857.88 | kPa | Joback Calculated Property |
| Tboil | 838.70 | K | Joback Calculated Property |
| Tc | 1100.25 | K | Joback Calculated Property |
| Tfus | 674.06 | K | Joback Calculated Property |
| Vc | 0.580 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [476.42; 532.44] | J/mol×K | [838.70; 1100.25] | 
|
| Cp,gas | 476.42 | J/mol×K | 838.70 | Joback Calculated Property |
| Cp,gas | 486.65 | J/mol×K | 882.29 | Joback Calculated Property |
| Cp,gas | 496.34 | J/mol×K | 925.88 | Joback Calculated Property |
| Cp,gas | 505.62 | J/mol×K | 969.47 | Joback Calculated Property |
| Cp,gas | 514.63 | J/mol×K | 1013.06 | Joback Calculated Property |
| Cp,gas | 523.53 | J/mol×K | 1056.66 | Joback Calculated Property |
| Cp,gas | 532.44 | J/mol×K | 1100.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Alpha-(dimethylamino)-4,6-dinitro-o-cresol.
Sources
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