- 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° | 101.97 | 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 | 857.03 | K | Relay (1.0) Calculated Property |
| Tfus | 303.27 | K | Relay (1.0) Calculated Property |
| Vc | 1.001 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.95; 903.90] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.78400e+01 | |||
| Coefficient B | 1.71864e+00 | |||
| Coefficient C | -1.00386e-03 | |||
| Coefficient D | 2.16960e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 370.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 464.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 547.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 620.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 685.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 742.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 792.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 835.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 872.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 903.90 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-octyl-.
Sources
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