- InChI
- InChI=1S/C21H35NO/c1-3-5-7-8-9-10-11-12-18-22-21(23)20-16-14-19(15-17-20)13-6-4-2/h14-17H,3-13,18H2,1-2H3,(H,22,23)
- InChI Key
- KHBHMUGFJFNUFE-UHFFFAOYSA-N
- Formula
- C21H35NO
- SMILES
- CCCCCCCCCCNC(=O)c1ccc(CCCC)cc1
- Molecular Weight1
- 317.51
- 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 | 0.9733 | Relay (1.0) Calculated Property | |
| ΔfG° | 189.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -405.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.900 | Crippen Calculated Property | |
| McVol | 294.540 | ml/mol | McGowan Calculated Property |
| Pc | 1238.09 | kPa | Joback Calculated Property |
| Inp | [2725.00; 2725.00] |
|
|
| Inp | 2725.00 | NIST | |
| Inp | 2725.00 | NIST | |
| Tboil | 648.32 | K | Relay (1.0) Calculated Property |
| Tc | 872.56 | K | Relay (1.0) Calculated Property |
| Tfus | 309.38 | K | Relay (1.0) Calculated Property |
| Vc | 1.111 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [413.37; 1007.08] | 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 | -2.96580e+01 | |||
| Coefficient B | 1.90864e+00 | |||
| Coefficient C | -1.11266e-03 | |||
| Coefficient D | 2.40760e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 413.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 516.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 609.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 691.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 763.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 827.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 882.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 930.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 971.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1007.08 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-decyl-.
Sources
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