- InChI
- InChI=1S/C10H14N2O2/c1-3-11(4-2)9-6-5-7-10(8-9)12(13)14/h5-8H,3-4H2,1-2H3
- InChI Key
- QSNHMSRICSDACJ-UHFFFAOYSA-N
- Formula
- C10H14N2O2
- SMILES
- CCN(CC)c1cccc([N+](=O)[O-])c1
- Molecular Weight1
- 194.23
- CAS
- 2216-16-2
- Other Names
-
- N,N-Diethyl-m-nitroaniline
- Benzenamine, N,N-diethyl-3-nitro-
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 282.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 32.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.43 | kJ/mol | Joback Calculated Property |
| log10WS | -2.87 | Crippen Calculated Property | |
| logPoct/wat | 2.441 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 2915.53 | kPa | Joback Calculated Property |
| Tboil | 562.20 | K | NIST |
| Tc | 854.90 | K | Joback Calculated Property |
| Tfus | 417.48 | K | Joback Calculated Property |
| Vc | 0.588 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.46; 466.85] | J/mol×K | [624.14; 854.90] | 
|
| Cp,gas | 394.46 | J/mol×K | 624.14 | Joback Calculated Property |
| Cp,gas | 408.90 | J/mol×K | 662.60 | Joback Calculated Property |
| Cp,gas | 422.31 | J/mol×K | 701.06 | Joback Calculated Property |
| Cp,gas | 434.76 | J/mol×K | 739.52 | Joback Calculated Property |
| Cp,gas | 446.29 | J/mol×K | 777.98 | Joback Calculated Property |
| Cp,gas | 456.97 | J/mol×K | 816.44 | Joback Calculated Property |
| Cp,gas | 466.85 | J/mol×K | 854.90 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 448.00 ± 1.00 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to N,N-Diethyl-3-nitroaniline.
Sources
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