- 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
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 189.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -310.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.46 | kJ/mol | Joback Calculated Property |
| log10WS | -7.22 | Crippen 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 | 815.58 | K | Joback Calculated Property |
| Tc | 1010.53 | K | Joback Calculated Property |
| Tfus | 467.96 | K | Joback Calculated Property |
| Vc | 1.145 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [917.49; 1011.31] | J/mol×K | [815.58; 1010.53] |
|
| Cp,gas | 917.49 | J/mol×K | 815.58 | Joback Calculated Property |
| Cp,gas | 935.60 | J/mol×K | 848.07 | Joback Calculated Property |
| Cp,gas | 952.66 | J/mol×K | 880.56 | Joback Calculated Property |
| Cp,gas | 968.71 | J/mol×K | 913.05 | Joback Calculated Property |
| Cp,gas | 983.80 | J/mol×K | 945.54 | Joback Calculated Property |
| Cp,gas | 997.98 | J/mol×K | 978.04 | Joback Calculated Property |
| Cp,gas | 1011.31 | J/mol×K | 1010.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-decyl-.
Sources
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