- InChI
- InChI=1S/C10H12N2O3/c1-6-4-7(2)10(11-8(3)13)9(5-6)12(14)15/h4-5H,1-3H3,(H,11,13)
- InChI Key
- PXXMBAOADHXJSE-UHFFFAOYSA-N
- Formula
- C10H12N2O3
- SMILES
-
CC(=O)Nc1c(C)cc(C)cc1[N+](=O)[
O-] - Molecular Weight1
- 208.21
- CAS
- 606-38-2
- 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).
- 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 | 0.6820 | Relay (1.0) Calculated Property | |
| ΔfG° | 112.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -183.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.170 | Crippen Calculated Property | |
| McVol | 156.970 | ml/mol | McGowan Calculated Property |
| Pc | 3072.75 | kPa | Joback Calculated Property |
| Tboil | 568.75 | K | Relay (1.0) Calculated Property |
| Tc | 849.47 | K | Relay (1.0) Calculated Property |
| Tfus | 393.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.552 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [415.95; 473.74] | J/mol×K | [725.70; 965.57] | 
|
| Cp,gas | 415.95 | J/mol×K | 725.70 | Joback Calculated Property |
| Cp,gas | 427.68 | J/mol×K | 765.68 | Joback Calculated Property |
| Cp,gas | 438.53 | J/mol×K | 805.66 | Joback Calculated Property |
| Cp,gas | 448.53 | J/mol×K | 845.63 | Joback Calculated Property |
| Cp,gas | 457.71 | J/mol×K | 885.61 | Joback Calculated Property |
| Cp,gas | 466.10 | J/mol×K | 925.59 | Joback Calculated Property |
| Cp,gas | 473.74 | J/mol×K | 965.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dimethyl-6-nitro acetanilide.
Sources
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