- InChI
- InChI=1S/C14H21NO/c1-4-6-11-15(5-2)14(16)13-9-7-12(3)8-10-13/h7-10H,4-6,11H2,1-3H3
- InChI Key
- XFLUHTQQQUJLRX-UHFFFAOYSA-N
- Formula
- C14H21NO
- SMILES
- CCCCN(CC)C(=O)c1ccc(C)cc1
- 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.
- 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 | 0.6403 | Relay (1.0) Calculated Property | |
| ΔfG° | 151.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -219.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.257 | Crippen Calculated Property | |
| McVol | 195.910 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| Inp | [2047.00; 2047.00] |
|
|
| Inp | 2047.00 | NIST | |
| Inp | 2047.00 | NIST | |
| Tboil | 590.37 | K | Relay (1.0) Calculated Property |
| Tc | 771.89 | K | Relay (1.0) Calculated Property |
| Tfus | 287.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.720 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [504.68; 591.92] | J/mol×K | [617.69; 817.97] |
|
| Cp,gas | 504.68 | J/mol×K | 617.69 | Joback Calculated Property |
| Cp,gas | 521.51 | J/mol×K | 651.07 | Joback Calculated Property |
| Cp,gas | 537.37 | J/mol×K | 684.45 | Joback Calculated Property |
| Cp,gas | 552.30 | J/mol×K | 717.83 | Joback Calculated Property |
| Cp,gas | 566.34 | J/mol×K | 751.21 | Joback Calculated Property |
| Cp,gas | 579.54 | J/mol×K | 784.59 | Joback Calculated Property |
| Cp,gas | 591.92 | J/mol×K | 817.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-methyl-N-butyl-N-ethyl-.
Sources
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