- InChI
- InChI=1S/C9H10N4O5/c1-11(2)9(14)10-7-4-3-6(12(15)16)5-8(7)13(17)18/h3-5H,1-2H3,(H,10,14)
- InChI Key
- YNGYYVJAOOEVDA-UHFFFAOYSA-N
- Formula
- C9H10N4O5
- SMILES
-
CN(C)C(=O)Nc1ccc([N+](=O)[O-])
cc1[N+](=O)[O-] - Molecular Weight1
- 254.20
- CAS
- 73953-80-7
- 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° | 260.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -28.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.63 | kJ/mol | Joback Calculated Property |
| log10WS | -2.94 | Crippen Calculated Property | |
| logPoct/wat | 1.596 | Crippen Calculated Property | |
| McVol | 170.280 | ml/mol | McGowan Calculated Property |
| Pc | 3530.46 | kPa | Joback Calculated Property |
| Tboil | 862.12 | K | Joback Calculated Property |
| Tc | 1118.79 | K | Joback Calculated Property |
| Tfus | 664.93 | K | Joback Calculated Property |
| Vc | 0.654 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [489.30; 531.41] | J/mol×K | [862.12; 1118.79] | 
|
| Cp,gas | 489.30 | J/mol×K | 862.12 | Joback Calculated Property |
| Cp,gas | 498.41 | J/mol×K | 904.90 | Joback Calculated Property |
| Cp,gas | 506.60 | J/mol×K | 947.68 | Joback Calculated Property |
| Cp,gas | 513.92 | J/mol×K | 990.46 | Joback Calculated Property |
| Cp,gas | 520.45 | J/mol×K | 1033.23 | Joback Calculated Property |
| Cp,gas | 526.25 | J/mol×K | 1076.01 | Joback Calculated Property |
| Cp,gas | 531.41 | J/mol×K | 1118.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N'-(2,4-dinitrophenyl)-n,n-dimethylurea.
Sources
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