- 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° | 69.49 | 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 | 759.38 | K | Relay (1.0) Calculated Property |
| Tfus | 312.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.667 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.98; 600.00] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -7.06390e+01 | |||
| Coefficient B | 1.38168e+00 | |||
| Coefficient C | -9.80300e-04 | |||
| Coefficient D | 2.69260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 238.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 307.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 366.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 417.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 461.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 498.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 530.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 557.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 580.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 600.00 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to N-(2,2-dimethylpropyl)-N-methyl-benzamide.
Sources
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