- InChI
- InChI=1S/C21H35NO2/c1-4-6-8-9-10-11-12-18-22(17-7-5-2)21(23)19-13-15-20(24-3)16-14-19/h13-16H,4-12,17-18H2,1-3H3
- InChI Key
- HFRRIBCTGUNMKP-UHFFFAOYSA-N
- Formula
- C21H35NO2
- SMILES
-
CCCCCCCCCN(CCCC)C(=O)c1ccc(OC)
cc1 - Molecular Weight1
- 333.51
- 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 | 0.9800 | Relay (1.0) Calculated Property | |
| ΔfG° | 105.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -470.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.688 | Crippen Calculated Property | |
| McVol | 300.410 | ml/mol | McGowan Calculated Property |
| Pc | 1210.67 | kPa | Joback Calculated Property |
| Inp | [1828.00; 1828.00] |
|
|
| Inp | 1828.00 | NIST | |
| Inp | 1828.00 | NIST | |
| Tboil | 657.06 | K | Relay (1.0) Calculated Property |
| Tc | 851.74 | K | Relay (1.0) Calculated Property |
| Tfus | 314.50 | K | Relay (1.0) Calculated Property |
| Vc | 1.118 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [928.01; 1023.37] | J/mol×K | [800.27; 991.70] |
|
| Cp,gas | 928.01 | J/mol×K | 800.27 | Joback Calculated Property |
| Cp,gas | 946.49 | J/mol×K | 832.18 | Joback Calculated Property |
| Cp,gas | 963.87 | J/mol×K | 864.08 | Joback Calculated Property |
| Cp,gas | 980.21 | J/mol×K | 895.99 | Joback Calculated Property |
| Cp,gas | 995.55 | J/mol×K | 927.89 | Joback Calculated Property |
| Cp,gas | 1009.92 | J/mol×K | 959.80 | Joback Calculated Property |
| Cp,gas | 1023.37 | J/mol×K | 991.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-methoxy-N-butyl-N-nonyl-.
Sources
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