- InChI
- InChI=1S/C17H19NO3/c1-4-12-5-7-13(8-6-12)17(19)18-15-11-14(20-2)9-10-16(15)21-3/h5-11H,4H2,1-3H3,(H,18,19)
- InChI Key
- AXBQXNRRBAPHCZ-UHFFFAOYSA-N
- Formula
- C17H19NO3
- SMILES
-
CCc1ccc(C(=O)Nc2cc(OC)ccc2OC)c
c1 - Molecular Weight1
- 285.34
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8092 | Relay (1.0) Calculated Property | |
| ΔfG° | 38.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -340.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.518 | Crippen Calculated Property | |
| McVol | 226.160 | ml/mol | McGowan Calculated Property |
| Pc | 2083.12 | kPa | Joback Calculated Property |
| Inp | [2549.00; 2549.00] |
|
|
| Inp | 2549.00 | NIST | |
| Inp | 2549.00 | NIST | |
| Tboil | 657.08 | K | Relay (1.0) Calculated Property |
| Tc | 935.62 | K | Relay (1.0) Calculated Property |
| Tfus | 404.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.820 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [650.82; 720.55] | J/mol×K | [805.54; 1032.46] |
|
| Cp,gas | 650.82 | J/mol×K | 805.54 | Joback Calculated Property |
| Cp,gas | 665.38 | J/mol×K | 843.36 | Joback Calculated Property |
| Cp,gas | 678.74 | J/mol×K | 881.18 | Joback Calculated Property |
| Cp,gas | 690.92 | J/mol×K | 919.00 | Joback Calculated Property |
| Cp,gas | 701.94 | J/mol×K | 956.82 | Joback Calculated Property |
| Cp,gas | 711.80 | J/mol×K | 994.64 | Joback Calculated Property |
| Cp,gas | 720.55 | J/mol×K | 1032.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(2,5-dimethoxyphenyl)-4-ethyl-.
Sources
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