- InChI
- InChI=1S/C14H21NO/c1-3-4-5-9-12-15(2)14(16)13-10-7-6-8-11-13/h6-8,10-11H,3-5,9,12H2,1-2H3
- InChI Key
- AYXKELUADFJVAX-UHFFFAOYSA-N
- Formula
- C14H21NO
- SMILES
- CCCCCCN(C)C(=O)c1ccccc1
- Molecular Weight1
- 219.32
- 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 | 0.6517 | Relay (1.0) Calculated Property | |
| ΔfG° | 161.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -195.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.339 | Crippen Calculated Property | |
| McVol | 195.910 | ml/mol | McGowan Calculated Property |
| Pc | 2123.64 | kPa | Joback Calculated Property |
| Inp | [1794.06; 1838.07] |
|
|
| Inp | 1794.06 | NIST | |
| Inp | 1814.98 | NIST | |
| Inp | 1835.87 | NIST | |
| Inp | 1819.87 | NIST | |
| Inp | 1838.07 | NIST | |
| I | [2729.97; 2768.83] |
|
|
| I | 2729.97 | NIST | |
| I | 2747.79 | NIST | |
| I | 2768.83 | NIST | |
| Tboil | 585.49 | K | Relay (1.0) Calculated Property |
| Tc | 781.44 | K | Relay (1.0) Calculated Property |
| Tfus | 283.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.732 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [504.79; 592.92] | J/mol×K | [612.71; 812.07] |
|
| Cp,gas | 504.79 | J/mol×K | 612.71 | Joback Calculated Property |
| Cp,gas | 521.85 | J/mol×K | 645.94 | Joback Calculated Property |
| Cp,gas | 537.90 | J/mol×K | 679.16 | Joback Calculated Property |
| Cp,gas | 552.98 | J/mol×K | 712.39 | Joback Calculated Property |
| Cp,gas | 567.15 | J/mol×K | 745.62 | Joback Calculated Property |
| Cp,gas | 580.45 | J/mol×K | 778.84 | Joback Calculated Property |
| Cp,gas | 592.92 | J/mol×K | 812.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Hexyl-N-methyl-benzamide.
Sources
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