- InChI
- InChI=1S/C20H23NO2/c1-4-5-14-21(19(22)17-10-6-15(2)7-11-17)20(23)18-12-8-16(3)9-13-18/h6-13H,4-5,14H2,1-3H3
- InChI Key
- BXXJZMAPIZJYMA-UHFFFAOYSA-N
- Formula
- C20H23NO2
- SMILES
-
CCCCN(C(=O)c1ccc(C)cc1)C(=O)c1
ccc(C)cc1 - Molecular Weight1
- 309.40
- 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 | 0.8161 | Relay (1.0) Calculated Property | |
| ΔfG° | 176.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -270.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.386 | Crippen Calculated Property | |
| McVol | 258.260 | ml/mol | McGowan Calculated Property |
| Pc | 1762.45 | kPa | Joback Calculated Property |
| Inp | [2368.00; 2368.00] |
|
|
| Inp | 2368.00 | NIST | |
| Inp | 2368.00 | NIST | |
| Tboil | 669.94 | K | Relay (1.0) Calculated Property |
| Tc | 918.05 | K | Relay (1.0) Calculated Property |
| Tfus | 339.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.944 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [766.71; 842.57] | J/mol×K | [840.50; 1065.75] |
|
| Cp,gas | 766.71 | J/mol×K | 840.50 | Joback Calculated Property |
| Cp,gas | 782.02 | J/mol×K | 878.04 | Joback Calculated Property |
| Cp,gas | 796.16 | J/mol×K | 915.58 | Joback Calculated Property |
| Cp,gas | 809.21 | J/mol×K | 953.12 | Joback Calculated Property |
| Cp,gas | 821.24 | J/mol×K | 990.66 | Joback Calculated Property |
| Cp,gas | 832.33 | J/mol×K | 1028.21 | Joback Calculated Property |
| Cp,gas | 842.57 | J/mol×K | 1065.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-methyl-N-(4-methylbenzoyl)-N-butyl-.
Sources
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