- InChI
- InChI=1S/C15H23NO/c1-4-5-6-13-7-9-14(10-8-13)15(17)16-11-12(2)3/h7-10,12H,4-6,11H2,1-3H3,(H,16,17)
- InChI Key
- JUVNNJASLWYUQA-UHFFFAOYSA-N
- Formula
- C15H23NO
- SMILES
- CCCCc1ccc(C(=O)NCC(C)C)cc1
- Molecular Weight1
- 233.35
- 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° | 136.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -192.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.72 | kJ/mol | Joback Calculated Property |
| log10WS | -4.47 | Crippen Calculated Property | |
| logPoct/wat | 3.415 | Crippen Calculated Property | |
| McVol | 210.000 | ml/mol | McGowan Calculated Property |
| Pc | 1961.34 | kPa | Joback Calculated Property |
| Inp | [2030.00; 2030.00] |
|
|
| Inp | 2030.00 | NIST | |
| Inp | 2030.00 | NIST | |
| Tboil | 677.86 | K | Joback Calculated Property |
| Tc | 881.81 | K | Joback Calculated Property |
| Tfus | 385.34 | K | Joback Calculated Property |
| Vc | 0.802 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [575.38; 661.67] | J/mol×K | [677.86; 881.81] |
|
| Cp,gas | 575.38 | J/mol×K | 677.86 | Joback Calculated Property |
| Cp,gas | 592.11 | J/mol×K | 711.85 | Joback Calculated Property |
| Cp,gas | 607.84 | J/mol×K | 745.84 | Joback Calculated Property |
| Cp,gas | 622.63 | J/mol×K | 779.84 | Joback Calculated Property |
| Cp,gas | 636.50 | J/mol×K | 813.83 | Joback Calculated Property |
| Cp,gas | 649.50 | J/mol×K | 847.82 | Joback Calculated Property |
| Cp,gas | 661.67 | J/mol×K | 881.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-isobutyl-.
Sources
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