- InChI
- InChI=1S/C18H29NO2/c1-4-6-8-9-15-19(14-7-5-2)18(20)16-10-12-17(21-3)13-11-16/h10-13H,4-9,14-15H2,1-3H3
- InChI Key
- RTBYFGQCKUOALB-UHFFFAOYSA-N
- Formula
- C18H29NO2
- SMILES
- CCCCCCN(CCCC)C(=O)c1ccc(OC)cc1
- Molecular Weight1
- 291.43
- 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 | 0.8679 | Relay (1.0) Calculated Property | |
| ΔfG° | 80.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -406.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.518 | Crippen Calculated Property | |
| McVol | 258.140 | ml/mol | McGowan Calculated Property |
| Pc | 1495.35 | kPa | Joback Calculated Property |
| Inp | [2849.00; 2849.00] |
|
|
| Inp | 2849.00 | NIST | |
| Inp | 2849.00 | NIST | |
| Tboil | 635.70 | K | Relay (1.0) Calculated Property |
| Tc | 827.20 | K | Relay (1.0) Calculated Property |
| Tfus | 310.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.954 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [751.98; 843.97] | J/mol×K | [731.63; 923.19] |
|
| Cp,gas | 751.98 | J/mol×K | 731.63 | Joback Calculated Property |
| Cp,gas | 769.72 | J/mol×K | 763.56 | Joback Calculated Property |
| Cp,gas | 786.46 | J/mol×K | 795.48 | Joback Calculated Property |
| Cp,gas | 802.22 | J/mol×K | 827.41 | Joback Calculated Property |
| Cp,gas | 817.03 | J/mol×K | 859.34 | Joback Calculated Property |
| Cp,gas | 830.94 | J/mol×K | 891.26 | Joback Calculated Property |
| Cp,gas | 843.97 | J/mol×K | 923.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-methoxy-N-butyl-N-hexyl-.
Sources
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