- InChI
- InChI=1S/C16H25NO/c1-5-6-11-17(12-13(2)3)16(18)15-10-8-7-9-14(15)4/h7-10,13H,5-6,11-12H2,1-4H3
- InChI Key
- NZLRCQDTARKGRB-UHFFFAOYSA-N
- Formula
- C16H25NO
- SMILES
- CCCCN(CC(C)C)C(=O)c1ccccc1C
- Molecular Weight1
- 247.38
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 166.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -198.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.55 | kJ/mol | Joback Calculated Property |
| log10WS | -4.36 | Crippen Calculated Property | |
| logPoct/wat | 3.893 | Crippen Calculated Property | |
| McVol | 224.090 | ml/mol | McGowan Calculated Property |
| Pc | 1781.84 | kPa | Joback Calculated Property |
| Inp | [2097.00; 2097.00] |
|
|
| Inp | 2097.00 | NIST | |
| Inp | 2097.00 | NIST | |
| Tboil | 663.01 | K | Joback Calculated Property |
| Tc | 861.76 | K | Joback Calculated Property |
| Tfus | 376.42 | K | Joback Calculated Property |
| Vc | 0.842 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [611.25; 704.09] | J/mol×K | [663.01; 861.76] |
|
| Cp,gas | 611.25 | J/mol×K | 663.01 | Joback Calculated Property |
| Cp,gas | 629.17 | J/mol×K | 696.13 | Joback Calculated Property |
| Cp,gas | 646.06 | J/mol×K | 729.26 | Joback Calculated Property |
| Cp,gas | 661.95 | J/mol×K | 762.38 | Joback Calculated Property |
| Cp,gas | 676.88 | J/mol×K | 795.51 | Joback Calculated Property |
| Cp,gas | 690.92 | J/mol×K | 828.63 | Joback Calculated Property |
| Cp,gas | 704.09 | J/mol×K | 861.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2-methyl-N-butyl-N-isobutyl-.
Sources
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