- InChI
- InChI=1S/C21H35NO/c1-4-6-8-9-10-11-12-18-22(17-7-5-2)21(23)20-15-13-19(3)14-16-20/h13-16H,4-12,17-18H2,1-3H3
- InChI Key
- MFCNZXYFKOPCTJ-UHFFFAOYSA-N
- Formula
- C21H35NO
- SMILES
-
CCCCCCCCCN(CCCC)C(=O)c1ccc(C)c
c1 - Molecular Weight1
- 317.51
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 210.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.07 | kJ/mol | Joback Calculated Property |
| log10WS | -6.70 | Crippen Calculated Property | |
| logPoct/wat | 5.988 | Crippen Calculated Property | |
| McVol | 294.540 | ml/mol | McGowan Calculated Property |
| Pc | 1225.12 | kPa | Joback Calculated Property |
| Inp | 3150.00 | NIST | |
| Tboil | 777.85 | K | Joback Calculated Property |
| Tc | 968.26 | K | Joback Calculated Property |
| Tfus | 447.77 | K | Joback Calculated Property |
| Vc | 1.127 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [896.65; 994.95] | J/mol×K | [777.85; 968.26] | 
|
| Cp,gas | 896.65 | J/mol×K | 777.85 | Joback Calculated Property |
| Cp,gas | 915.51 | J/mol×K | 809.58 | Joback Calculated Property |
| Cp,gas | 933.31 | J/mol×K | 841.32 | Joback Calculated Property |
| Cp,gas | 950.11 | J/mol×K | 873.05 | Joback Calculated Property |
| Cp,gas | 965.94 | J/mol×K | 904.79 | Joback Calculated Property |
| Cp,gas | 980.87 | J/mol×K | 936.52 | Joback Calculated Property |
| Cp,gas | 994.95 | J/mol×K | 968.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-methyl-N-butyl-N-nonyl-.
Sources
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