- InChI
- InChI=1S/C15H23NO/c1-3-5-7-13-8-10-14(11-9-13)15(17)16-12-6-4-2/h8-11H,3-7,12H2,1-2H3,(H,16,17)
- InChI Key
- BNJUUOUNOHPYPH-UHFFFAOYSA-N
- Formula
- C15H23NO
- SMILES
- CCCCNC(=O)c1ccc(CCCC)cc1
- Molecular Weight1
- 233.35
- 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 | 0.7517 | Relay (1.0) Calculated Property | |
| ΔfG° | 138.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -281.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.559 | Crippen Calculated Property | |
| McVol | 210.000 | ml/mol | McGowan Calculated Property |
| Pc | 1947.51 | kPa | Joback Calculated Property |
| Inp | [2092.00; 2092.00] |
|
|
| Inp | 2092.00 | NIST | |
| Inp | 2092.00 | NIST | |
| Tboil | 603.37 | K | Relay (1.0) Calculated Property |
| Tc | 818.08 | K | Relay (1.0) Calculated Property |
| Tfus | 290.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.782 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.09; 697.54] | 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 | -2.42040e+01 | |||
| Coefficient B | 1.33864e+00 | |||
| Coefficient C | -7.86260e-04 | |||
| Coefficient D | 1.69360e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 286.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 358.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 422.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 480.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 530.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 574.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 612.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 645.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 673.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 697.54 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-butyl-.
Sources
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