- InChI
- InChI=1S/C16H25NO2/c1-4-6-8-13(5-2)12-17-16(18)14-9-7-10-15(11-14)19-3/h7,9-11,13H,4-6,8,12H2,1-3H3,(H,17,18)
- InChI Key
- QBLUXQUADZITNK-UHFFFAOYSA-N
- Formula
- C16H25NO2
- SMILES
- CCCCC(CC)CNC(=O)c1cccc(OC)c1
- Molecular Weight1
- 263.38
- 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° | 39.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -345.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.35 | kJ/mol | Joback Calculated Property |
| log10WS | -4.62 | Crippen Calculated Property | |
| logPoct/wat | 3.641 | Crippen Calculated Property | |
| McVol | 229.960 | ml/mol | McGowan Calculated Property |
| Pc | 1778.84 | kPa | Joback Calculated Property |
| Inp | [2217.00; 2217.00] |
|
|
| Inp | 2217.00 | NIST | |
| Inp | 2217.00 | NIST | |
| Tboil | 723.16 | K | Joback Calculated Property |
| Tc | 923.46 | K | Joback Calculated Property |
| Tfus | 418.84 | K | Joback Calculated Property |
| Vc | 0.876 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [658.41; 743.95] | J/mol×K | [723.16; 923.46] |
|
| Cp,gas | 658.41 | J/mol×K | 723.16 | Joback Calculated Property |
| Cp,gas | 675.07 | J/mol×K | 756.54 | Joback Calculated Property |
| Cp,gas | 690.72 | J/mol×K | 789.93 | Joback Calculated Property |
| Cp,gas | 705.41 | J/mol×K | 823.31 | Joback Calculated Property |
| Cp,gas | 719.16 | J/mol×K | 856.69 | Joback Calculated Property |
| Cp,gas | 731.99 | J/mol×K | 890.08 | Joback Calculated Property |
| Cp,gas | 743.95 | J/mol×K | 923.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-methoxy-N-(2-ethylhexyl)-.
Sources
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