- InChI
- InChI=1S/C11H14N2O3/c1-3-12(4-2)11(14)9-5-7-10(8-6-9)13(15)16/h5-8H,3-4H2,1-2H3
- InChI Key
- JLZWKZDHHREXTA-UHFFFAOYSA-N
- Formula
- C11H14N2O3
- SMILES
-
CCN(CC)C(=O)c1ccc([N+](=O)[O-]
)cc1 - Molecular Weight1
- 222.24
- 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).
- Inp : Non-polar retention indices.
- 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° | 161.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -101.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.40 | kJ/mol | Joback Calculated Property |
| log10WS | -3.10 | Crippen Calculated Property | |
| logPoct/wat | 2.077 | Crippen Calculated Property | |
| McVol | 171.060 | ml/mol | McGowan Calculated Property |
| Pc | 2814.34 | kPa | Joback Calculated Property |
| Inp | [2071.00; 2071.00] |
|
|
| Inp | 2071.00 | NIST | |
| Inp | 2071.00 | NIST | |
| Tboil | 700.89 | K | Joback Calculated Property |
| Tc | 933.26 | K | Joback Calculated Property |
| Tfus | 478.68 | K | Joback Calculated Property |
| Vc | 0.649 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [459.11; 524.96] | J/mol×K | [700.89; 933.26] |
|
| Cp,gas | 459.11 | J/mol×K | 700.89 | Joback Calculated Property |
| Cp,gas | 472.42 | J/mol×K | 739.62 | Joback Calculated Property |
| Cp,gas | 484.72 | J/mol×K | 778.35 | Joback Calculated Property |
| Cp,gas | 496.06 | J/mol×K | 817.07 | Joback Calculated Property |
| Cp,gas | 506.51 | J/mol×K | 855.80 | Joback Calculated Property |
| Cp,gas | 516.13 | J/mol×K | 894.53 | Joback Calculated Property |
| Cp,gas | 524.96 | J/mol×K | 933.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-nitro-N,N-diethyl-.
Sources
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