- InChI
- InChI=1S/C19H31NO/c1-5-7-9-17-10-12-18(13-11-17)19(21)20(14-8-6-2)15-16(3)4/h10-13,16H,5-9,14-15H2,1-4H3
- InChI Key
- PDFVTUBWXFDHNH-UHFFFAOYSA-N
- Formula
- C19H31NO
- SMILES
-
CCCCc1ccc(C(=O)N(CCCC)CC(C)C)c
c1 - Molecular Weight1
- 289.46
- 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° | 191.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -260.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.23 | kJ/mol | Joback Calculated Property |
| log10WS | -5.53 | Crippen Calculated Property | |
| logPoct/wat | 4.928 | Crippen Calculated Property | |
| McVol | 266.360 | ml/mol | McGowan Calculated Property |
| Pc | 1416.50 | kPa | Joback Calculated Property |
| Inp | [2694.00; 2694.00] |
|
|
| Inp | 2694.00 | NIST | |
| Inp | 2694.00 | NIST | |
| Tboil | 731.65 | K | Joback Calculated Property |
| Tc | 925.14 | K | Joback Calculated Property |
| Tfus | 410.23 | K | Joback Calculated Property |
| Vc | 1.010 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [779.65; 876.60] | J/mol×K | [731.65; 925.14] |
|
| Cp,gas | 779.65 | J/mol×K | 731.65 | Joback Calculated Property |
| Cp,gas | 798.31 | J/mol×K | 763.90 | Joback Calculated Property |
| Cp,gas | 815.91 | J/mol×K | 796.15 | Joback Calculated Property |
| Cp,gas | 832.49 | J/mol×K | 828.40 | Joback Calculated Property |
| Cp,gas | 848.09 | J/mol×K | 860.64 | Joback Calculated Property |
| Cp,gas | 862.78 | J/mol×K | 892.89 | Joback Calculated Property |
| Cp,gas | 876.60 | J/mol×K | 925.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-butyl-N-isobutyl-.
Sources
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