- InChI
- InChI=1S/C19H23NO3/c1-4-5-6-14-7-9-15(10-8-14)19(21)20-17-13-16(22-2)11-12-18(17)23-3/h7-13H,4-6H2,1-3H3,(H,20,21)
- InChI Key
- DQEJZNNSDCHGBN-UHFFFAOYSA-N
- Formula
- C19H23NO3
- SMILES
-
CCCCc1ccc(C(=O)Nc2cc(OC)ccc2OC
)cc1 - Molecular Weight1
- 313.39
- 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 | 0.8943 | Relay (1.0) Calculated Property | |
| ΔfG° | 55.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.299 | Crippen Calculated Property | |
| McVol | 254.340 | ml/mol | McGowan Calculated Property |
| Pc | 1760.97 | kPa | Joback Calculated Property |
| Inp | [2772.00; 2772.00] |
|
|
| Inp | 2772.00 | NIST | |
| Inp | 2772.00 | NIST | |
| Tboil | 676.42 | K | Relay (1.0) Calculated Property |
| Tc | 945.85 | K | Relay (1.0) Calculated Property |
| Tfus | 396.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.923 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [764.05; 834.92] | J/mol×K | [851.30; 1073.19] |
|
| Cp,gas | 764.05 | J/mol×K | 851.30 | Joback Calculated Property |
| Cp,gas | 778.91 | J/mol×K | 888.28 | Joback Calculated Property |
| Cp,gas | 792.51 | J/mol×K | 925.26 | Joback Calculated Property |
| Cp,gas | 804.89 | J/mol×K | 962.24 | Joback Calculated Property |
| Cp,gas | 816.07 | J/mol×K | 999.23 | Joback Calculated Property |
| Cp,gas | 826.07 | J/mol×K | 1036.21 | Joback Calculated Property |
| Cp,gas | 834.92 | J/mol×K | 1073.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(2,5-dimethoxyphenyl)-4-butyl-.
Sources
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