- InChI
- InChI=1S/C19H31NO/c1-3-5-7-8-9-10-16-20-19(21)18-14-12-17(13-15-18)11-6-4-2/h12-15H,3-11,16H2,1-2H3,(H,20,21)
- InChI Key
- NEVRXRUEJPCMTR-UHFFFAOYSA-N
- Formula
- C19H31NO
- SMILES
- CCCCCCCCNC(=O)c1ccc(CCCC)cc1
- Molecular Weight1
- 289.46
- 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 | 0.9015 | Relay (1.0) Calculated Property | |
| ΔfG° | 172.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.119 | Crippen Calculated Property | |
| McVol | 266.360 | ml/mol | McGowan Calculated Property |
| Pc | 1423.99 | kPa | Joback Calculated Property |
| Inp | [2517.00; 2517.00] |
|
|
| Inp | 2517.00 | NIST | |
| Inp | 2517.00 | NIST | |
| Tboil | 634.78 | K | Relay (1.0) Calculated Property |
| Tc | 854.66 | K | Relay (1.0) Calculated Property |
| Tfus | 311.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.000 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [799.27; 890.58] | J/mol×K | [769.82; 964.44] |
|
| Cp,gas | 799.27 | J/mol×K | 769.82 | Joback Calculated Property |
| Cp,gas | 816.88 | J/mol×K | 802.26 | Joback Calculated Property |
| Cp,gas | 833.47 | J/mol×K | 834.69 | Joback Calculated Property |
| Cp,gas | 849.09 | J/mol×K | 867.13 | Joback Calculated Property |
| Cp,gas | 863.78 | J/mol×K | 899.57 | Joback Calculated Property |
| Cp,gas | 877.60 | J/mol×K | 932.01 | Joback Calculated Property |
| Cp,gas | 890.58 | J/mol×K | 964.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-octyl-.
Sources
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