- InChI
- InChI=1S/C16H25NO/c1-4-6-8-14-9-11-15(12-10-14)16(18)17(3)13-7-5-2/h9-12H,4-8,13H2,1-3H3
- InChI Key
- IBHXOIMKXIKOHX-UHFFFAOYSA-N
- Formula
- C16H25NO
- SMILES
- CCCCc1ccc(C(=O)N(C)CCCC)cc1
- Molecular Weight1
- 247.38
- 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 | 0.7376 | Relay (1.0) Calculated Property | |
| ΔfG° | 168.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -259.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.901 | Crippen Calculated Property | |
| McVol | 224.090 | ml/mol | McGowan Calculated Property |
| Pc | 1769.87 | kPa | Joback Calculated Property |
| Inp | [2492.00; 2492.00] |
|
|
| Inp | 2492.00 | NIST | |
| Inp | 2492.00 | NIST | |
| Tboil | 609.05 | K | Relay (1.0) Calculated Property |
| Tc | 801.15 | K | Relay (1.0) Calculated Property |
| Tfus | 277.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.842 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [610.80; 702.24] | J/mol×K | [663.45; 858.84] |
|
| Cp,gas | 610.80 | J/mol×K | 663.45 | Joback Calculated Property |
| Cp,gas | 628.39 | J/mol×K | 696.01 | Joback Calculated Property |
| Cp,gas | 644.98 | J/mol×K | 728.58 | Joback Calculated Property |
| Cp,gas | 660.62 | J/mol×K | 761.14 | Joback Calculated Property |
| Cp,gas | 675.35 | J/mol×K | 793.71 | Joback Calculated Property |
| Cp,gas | 689.21 | J/mol×K | 826.27 | Joback Calculated Property |
| Cp,gas | 702.24 | J/mol×K | 858.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-butyl-N-methyl-.
Sources
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