- InChI
- InChI=1S/C19H31NO/c1-4-7-9-16(6-3)15-20-19(21)18-13-11-17(12-14-18)10-8-5-2/h11-14,16H,4-10,15H2,1-3H3,(H,20,21)
- InChI Key
- IAVZWWHYHSTCCU-UHFFFAOYSA-N
- Formula
- C19H31NO
- SMILES
- CCCCc1ccc(C(=O)NCC(CC)CCCC)cc1
- Molecular Weight1
- 289.46
- 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° | 169.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.62 | kJ/mol | Joback Calculated Property |
| log10WS | -6.14 | Crippen Calculated Property | |
| logPoct/wat | 4.975 | Crippen Calculated Property | |
| McVol | 266.360 | ml/mol | McGowan Calculated Property |
| Pc | 1432.63 | kPa | Joback Calculated Property |
| Inp | [2406.00; 2406.00] |
|
|
| Inp | 2406.00 | NIST | |
| Inp | 2406.00 | NIST | |
| Tboil | 769.38 | K | Joback Calculated Property |
| Tc | 966.37 | K | Joback Calculated Property |
| Tfus | 430.42 | K | Joback Calculated Property |
| Vc | 1.026 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [799.78; 891.92] | J/mol×K | [769.38; 966.37] |
|
| Cp,gas | 799.78 | J/mol×K | 769.38 | Joback Calculated Property |
| Cp,gas | 817.60 | J/mol×K | 802.21 | Joback Calculated Property |
| Cp,gas | 834.38 | J/mol×K | 835.04 | Joback Calculated Property |
| Cp,gas | 850.15 | J/mol×K | 867.87 | Joback Calculated Property |
| Cp,gas | 864.97 | J/mol×K | 900.71 | Joback Calculated Property |
| Cp,gas | 878.88 | J/mol×K | 933.54 | Joback Calculated Property |
| Cp,gas | 891.92 | J/mol×K | 966.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-(2-ethylhexyl)-.
Sources
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