- InChI
- InChI=1S/C17H27NO/c1-4-7-9-15-10-12-16(13-11-15)17(19)18(6-3)14-8-5-2/h10-13H,4-9,14H2,1-3H3
- InChI Key
- VFAJUUVUMNZBLY-UHFFFAOYSA-N
- Formula
- C17H27NO
- SMILES
- CCCCc1ccc(C(=O)N(CC)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 | 0.7659 | Relay (1.0) Calculated Property | |
| ΔfG° | 176.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -282.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.291 | Crippen Calculated Property | |
| McVol | 238.180 | ml/mol | McGowan Calculated Property |
| Pc | 1635.13 | kPa | Joback Calculated Property |
| Inp | [2544.00; 2544.00] |
|
|
| Inp | 2544.00 | NIST | |
| Inp | 2544.00 | NIST | |
| Tboil | 616.88 | K | Relay (1.0) Calculated Property |
| Tc | 810.60 | K | Relay (1.0) Calculated Property |
| Tfus | 259.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.890 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [327.84; 801.86] | 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 | -3.55030e+01 | |||
| Coefficient B | 1.57636e+00 | |||
| Coefficient C | -9.59060e-04 | |||
| Coefficient D | 2.20060e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 327.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 411.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 486.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 552.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 610.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 660.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 704.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 741.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 774.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 801.86 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-butyl-N-ethyl-.
Sources
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