- InChI
- InChI=1S/C17H27NO/c1-4-6-10-14-18(13-7-5-2)17(19)16-12-9-8-11-15(16)3/h8-9,11-12H,4-7,10,13-14H2,1-3H3
- InChI Key
- QDAHTHYFGZTORP-UHFFFAOYSA-N
- Formula
- C17H27NO
- SMILES
- CCCCCN(CCCC)C(=O)c1ccccc1C
- Molecular Weight1
- 261.40
- 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 | 0.7572 | Relay (1.0) Calculated Property | |
| ΔfG° | 176.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -268.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.428 | Crippen Calculated Property | |
| McVol | 238.180 | ml/mol | McGowan Calculated Property |
| Pc | 1635.13 | kPa | Joback Calculated Property |
| Inp | [2817.00; 2817.00] |
|
|
| Inp | 2817.00 | NIST | |
| Inp | 2817.00 | NIST | |
| Tboil | 608.74 | K | Relay (1.0) Calculated Property |
| Tc | 813.33 | K | Relay (1.0) Calculated Property |
| Tfus | 275.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.883 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [665.78; 758.88] | J/mol×K | [686.33; 879.80] |
|
| Cp,gas | 665.78 | J/mol×K | 686.33 | Joback Calculated Property |
| Cp,gas | 683.67 | J/mol×K | 718.58 | Joback Calculated Property |
| Cp,gas | 700.55 | J/mol×K | 750.82 | Joback Calculated Property |
| Cp,gas | 716.47 | J/mol×K | 783.07 | Joback Calculated Property |
| Cp,gas | 731.47 | J/mol×K | 815.31 | Joback Calculated Property |
| Cp,gas | 745.59 | J/mol×K | 847.56 | Joback Calculated Property |
| Cp,gas | 758.88 | J/mol×K | 879.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2-methyl-N-butyl-N-pentyl-.
Sources
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