- InChI
- InChI=1S/C15H15NO3/c1-18-13-8-6-12(7-9-13)16-15(17)11-4-3-5-14(10-11)19-2/h3-10H,1-2H3,(H,16,17)
- InChI Key
- RUAUMBFSLSSQDJ-UHFFFAOYSA-N
- Formula
- C15H15NO3
- SMILES
- COc1ccc(NC(=O)c2cccc(OC)c2)cc1
- Molecular Weight1
- 257.28
- 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° | 31.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -226.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.86 | kJ/mol | Joback Calculated Property |
| log10WS | -3.69 | Crippen Calculated Property | |
| logPoct/wat | 2.956 | Crippen Calculated Property | |
| McVol | 197.980 | ml/mol | McGowan Calculated Property |
| Pc | 2540.49 | kPa | Joback Calculated Property |
| Inp | [2467.00; 2467.00] |
|
|
| Inp | 2467.00 | NIST | |
| Inp | 2467.00 | NIST | |
| Tboil | 754.80 | K | Joback Calculated Property |
| Tc | 988.32 | K | Joback Calculated Property |
| Tfus | 483.74 | K | Joback Calculated Property |
| Vc | 0.737 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [542.63; 610.61] | J/mol×K | [754.80; 988.32] |
|
| Cp,gas | 542.63 | J/mol×K | 754.80 | Joback Calculated Property |
| Cp,gas | 556.80 | J/mol×K | 793.72 | Joback Calculated Property |
| Cp,gas | 569.81 | J/mol×K | 832.64 | Joback Calculated Property |
| Cp,gas | 581.67 | J/mol×K | 871.56 | Joback Calculated Property |
| Cp,gas | 592.41 | J/mol×K | 910.48 | Joback Calculated Property |
| Cp,gas | 602.05 | J/mol×K | 949.40 | Joback Calculated Property |
| Cp,gas | 610.61 | J/mol×K | 988.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(4-methoxyphenyl)-3-methoxy-.
Sources
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