- InChI
- InChI=1S/C11H14N2O3/c1-11(2,3)10(14)12-8-5-4-6-9(7-8)13(15)16/h4-7H,1-3H3,(H,12,14)
- InChI Key
- YYVSAQXZGZPPHQ-UHFFFAOYSA-N
- Formula
- C11H14N2O3
- SMILES
-
CC(C)(C)C(=O)Nc1cccc([N+](=O)[
O-])c1 - Molecular Weight1
- 222.24
- CAS
- 32597-30-1
- Other Names
-
- 2,2-Dimethyl-N-(3-nitrophenyl)propanamide
- Propanamide, N-(3-nitrophenyl)-2,2-dimethyl-
- 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° | 143.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -123.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.50 | kJ/mol | Joback Calculated Property |
| log10WS | -3.34 | Crippen Calculated Property | |
| logPoct/wat | 2.579 | Crippen Calculated Property | |
| McVol | 171.060 | ml/mol | McGowan Calculated Property |
| Pc | 2918.68 | kPa | Joback Calculated Property |
| Inp | [1867.00; 1867.00] |
|
|
| Inp | 1867.00 | NIST | |
| Inp | 1867.00 | NIST | |
| Tboil | 735.39 | K | Joback Calculated Property |
| Tc | 982.17 | K | Joback Calculated Property |
| Tfus | 501.29 | K | Joback Calculated Property |
| Vc | 0.655 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.07; 535.49] | J/mol×K | [735.39; 982.17] |
|
| Cp,gas | 473.07 | J/mol×K | 735.39 | Joback Calculated Property |
| Cp,gas | 485.90 | J/mol×K | 776.52 | Joback Calculated Property |
| Cp,gas | 497.64 | J/mol×K | 817.65 | Joback Calculated Property |
| Cp,gas | 508.38 | J/mol×K | 858.78 | Joback Calculated Property |
| Cp,gas | 518.20 | J/mol×K | 899.91 | Joback Calculated Property |
| Cp,gas | 527.21 | J/mol×K | 941.04 | Joback Calculated Property |
| Cp,gas | 535.49 | J/mol×K | 982.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 2,2-dimethyl-N-(3-nitrophenyl)-.
Sources
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