- InChI
- InChI=1S/C20H33NO2/c1-4-6-8-9-10-11-17-21(16-7-5-2)20(22)18-12-14-19(23-3)15-13-18/h12-15H,4-11,16-17H2,1-3H3
- InChI Key
- IKWSURDOBSKWKV-UHFFFAOYSA-N
- Formula
- C20H33NO2
- SMILES
-
CCCCCCCCN(CCCC)C(=O)c1ccc(OC)c
c1 - Molecular Weight1
- 319.48
- 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 | 0.9438 | Relay (1.0) Calculated Property | |
| ΔfG° | 97.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -448.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.298 | Crippen Calculated Property | |
| McVol | 286.320 | ml/mol | McGowan Calculated Property |
| Pc | 1295.79 | kPa | Joback Calculated Property |
| Inp | [1741.00; 1741.00] |
|
|
| Inp | 1741.00 | NIST | |
| Inp | 1741.00 | NIST | |
| Tboil | 650.23 | K | Relay (1.0) Calculated Property |
| Tc | 843.99 | K | Relay (1.0) Calculated Property |
| Tfus | 312.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.063 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [868.41; 962.71] | J/mol×K | [777.39; 968.28] |
|
| Cp,gas | 868.41 | J/mol×K | 777.39 | Joback Calculated Property |
| Cp,gas | 886.65 | J/mol×K | 809.20 | Joback Calculated Property |
| Cp,gas | 903.82 | J/mol×K | 841.02 | Joback Calculated Property |
| Cp,gas | 919.98 | J/mol×K | 872.83 | Joback Calculated Property |
| Cp,gas | 935.15 | J/mol×K | 904.65 | Joback Calculated Property |
| Cp,gas | 949.38 | J/mol×K | 936.46 | Joback Calculated Property |
| Cp,gas | 962.71 | J/mol×K | 968.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-methoxy-N-butyl-N-octyl-.
Sources
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