- InChI
- InChI=1S/C17H27NO/c1-3-5-7-8-14-18-17(19)16-12-10-15(11-13-16)9-6-4-2/h10-13H,3-9,14H2,1-2H3,(H,18,19)
- InChI Key
- DSDPDFARXUYBOM-UHFFFAOYSA-N
- Formula
- C17H27NO
- SMILES
- CCCCCCNC(=O)c1ccc(CCCC)cc1
- 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 | 0.8271 | Relay (1.0) Calculated Property | |
| ΔfG° | 155.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -320.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.339 | Crippen Calculated Property | |
| McVol | 238.180 | ml/mol | McGowan Calculated Property |
| Pc | 1655.15 | kPa | Joback Calculated Property |
| Inp | [2305.00; 2305.00] |
|
|
| Inp | 2305.00 | NIST | |
| Inp | 2305.00 | NIST | |
| Tboil | 620.25 | K | Relay (1.0) Calculated Property |
| Tc | 837.28 | K | Relay (1.0) Calculated Property |
| Tfus | 307.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.889 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [684.88; 773.40] | J/mol×K | [724.06; 920.66] |
|
| Cp,gas | 684.88 | J/mol×K | 724.06 | Joback Calculated Property |
| Cp,gas | 701.95 | J/mol×K | 756.83 | Joback Calculated Property |
| Cp,gas | 718.04 | J/mol×K | 789.59 | Joback Calculated Property |
| Cp,gas | 733.19 | J/mol×K | 822.36 | Joback Calculated Property |
| Cp,gas | 747.44 | J/mol×K | 855.12 | Joback Calculated Property |
| Cp,gas | 760.83 | J/mol×K | 887.89 | Joback Calculated Property |
| Cp,gas | 773.40 | J/mol×K | 920.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-hexyl-.
Sources
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