- InChI
- InChI=1S/C13H19NO/c1-13(2,3)10-14(4)12(15)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
- InChI Key
- NXLPXQWESLPQSU-UHFFFAOYSA-N
- Formula
- C13H19NO
- SMILES
- CN(CC(C)(C)C)C(=O)c1ccccc1
- Molecular Weight1
- 205.30
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ω | 0.5265 | Relay (1.0) Calculated Property | |
| ΔfG° | 155.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -197.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.805 | Crippen Calculated Property | |
| McVol | 181.820 | ml/mol | McGowan Calculated Property |
| Pc | 2367.97 | kPa | Joback Calculated Property |
| Inp | [1606.54; 1657.39] |
|
|
| Inp | 1606.54 | NIST | |
| Inp | 1625.88 | NIST | |
| Inp | 1637.79 | NIST | |
| Inp | 1657.39 | NIST | |
| Inp | 1606.54 | NIST | |
| I | [2472.23; 2510.89] |
|
|
| I | 2472.23 | NIST | |
| I | 2491.77 | NIST | |
| I | 2510.89 | NIST | |
| I | 2472.23 | NIST | |
| Tboil | 565.45 | K | Relay (1.0) Calculated Property |
| Tc | 756.31 | K | Relay (1.0) Calculated Property |
| Tfus | 321.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.664 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [456.88; 545.43] | J/mol×K | [586.60; 800.78] |
|
| Cp,gas | 456.88 | J/mol×K | 586.60 | Joback Calculated Property |
| Cp,gas | 474.44 | J/mol×K | 622.30 | Joback Calculated Property |
| Cp,gas | 490.78 | J/mol×K | 657.99 | Joback Calculated Property |
| Cp,gas | 505.97 | J/mol×K | 693.69 | Joback Calculated Property |
| Cp,gas | 520.10 | J/mol×K | 729.39 | Joback Calculated Property |
| Cp,gas | 533.23 | J/mol×K | 765.09 | Joback Calculated Property |
| Cp,gas | 545.43 | J/mol×K | 800.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(2,2-dimethylpropyl)-N-methyl-benzamide.
Sources
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