- InChI
- InChI=1S/C18H29NO/c1-4-6-8-9-15(3)19-18(20)17-13-11-16(12-14-17)10-7-5-2/h11-15H,4-10H2,1-3H3,(H,19,20)
- InChI Key
- HOYVROFMCOGLJY-UHFFFAOYSA-N
- Formula
- C18H29NO
- SMILES
- CCCCCC(C)NC(=O)c1ccc(CCCC)cc1
- Molecular Weight1
- 275.43
- 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° | 161.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -254.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.39 | kJ/mol | Joback Calculated Property |
| log10WS | -6.08 | Crippen Calculated Property | |
| logPoct/wat | 4.728 | Crippen Calculated Property | |
| McVol | 252.270 | ml/mol | McGowan Calculated Property |
| Pc | 1542.71 | kPa | Joback Calculated Property |
| Inp | [2271.00; 2271.00] |
|
|
| Inp | 2271.00 | NIST | |
| Inp | 2271.00 | NIST | |
| Tboil | 746.50 | K | Joback Calculated Property |
| Tc | 944.50 | K | Joback Calculated Property |
| Tfus | 419.15 | K | Joback Calculated Property |
| Vc | 0.971 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [742.07; 833.01] | J/mol×K | [746.50; 944.50] |
|
| Cp,gas | 742.07 | J/mol×K | 746.50 | Joback Calculated Property |
| Cp,gas | 759.66 | J/mol×K | 779.50 | Joback Calculated Property |
| Cp,gas | 776.22 | J/mol×K | 812.50 | Joback Calculated Property |
| Cp,gas | 791.79 | J/mol×K | 845.50 | Joback Calculated Property |
| Cp,gas | 806.42 | J/mol×K | 878.50 | Joback Calculated Property |
| Cp,gas | 820.14 | J/mol×K | 911.50 | Joback Calculated Property |
| Cp,gas | 833.01 | J/mol×K | 944.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-(hept-2-yl)-.
Sources
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