- InChI
- InChI=1S/C17H27NO/c1-5-6-12-18(13-11-14(2)3)17(19)16-9-7-15(4)8-10-16/h7-10,14H,5-6,11-13H2,1-4H3
- InChI Key
- HCBPIUBKKLKLHI-UHFFFAOYSA-N
- Formula
- C17H27NO
- SMILES
- CCCCN(CCC(C)C)C(=O)c1ccc(C)cc1
- Molecular Weight1
- 261.40
- 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° | 174.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -219.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.78 | kJ/mol | Joback Calculated Property |
| log10WS | -4.78 | Crippen Calculated Property | |
| logPoct/wat | 4.283 | Crippen Calculated Property | |
| McVol | 238.180 | ml/mol | McGowan Calculated Property |
| Pc | 1645.76 | kPa | Joback Calculated Property |
| Inp | [2452.00; 2452.00] |
|
|
| Inp | 2452.00 | NIST | |
| Inp | 2452.00 | NIST | |
| Tboil | 685.89 | K | Joback Calculated Property |
| Tc | 882.46 | K | Joback Calculated Property |
| Tfus | 387.69 | K | Joback Calculated Property |
| Vc | 0.897 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [666.24; 760.65] | J/mol×K | [685.89; 882.46] |
|
| Cp,gas | 666.24 | J/mol×K | 685.89 | Joback Calculated Property |
| Cp,gas | 684.45 | J/mol×K | 718.65 | Joback Calculated Property |
| Cp,gas | 701.60 | J/mol×K | 751.41 | Joback Calculated Property |
| Cp,gas | 717.75 | J/mol×K | 784.18 | Joback Calculated Property |
| Cp,gas | 732.95 | J/mol×K | 816.94 | Joback Calculated Property |
| Cp,gas | 747.23 | J/mol×K | 849.70 | Joback Calculated Property |
| Cp,gas | 760.65 | J/mol×K | 882.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-methyl-N-butyl-N-3-methylbutyl-.
Sources
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