- InChI
- InChI=1S/C22H37NO/c1-5-8-11-12-19(4)23(18-10-7-3)22(24)21-16-14-20(15-17-21)13-9-6-2/h14-17,19H,5-13,18H2,1-4H3
- InChI Key
- BIYAFVJKBBNWGF-UHFFFAOYSA-N
- Formula
- C22H37NO
- SMILES
-
CCCCCC(C)N(CCCC)C(=O)c1ccc(CCC
C)cc1 - Molecular Weight1
- 331.54
- 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 | 0.8952 | Relay (1.0) Calculated Property | |
| ΔfG° | 216.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -384.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.240 | Crippen Calculated Property | |
| McVol | 308.630 | ml/mol | McGowan Calculated Property |
| Pc | 1153.00 | kPa | Joback Calculated Property |
| Inp | [2983.00; 2983.00] |
|
|
| Inp | 2983.00 | NIST | |
| Inp | 2983.00 | NIST | |
| Tboil | 647.65 | K | Relay (1.0) Calculated Property |
| Tc | 847.57 | K | Relay (1.0) Calculated Property |
| Tfus | 270.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.137 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [957.23; 1057.36] | J/mol×K | [800.29; 993.03] |
|
| Cp,gas | 957.23 | J/mol×K | 800.29 | Joback Calculated Property |
| Cp,gas | 976.50 | J/mol×K | 832.41 | Joback Calculated Property |
| Cp,gas | 994.67 | J/mol×K | 864.54 | Joback Calculated Property |
| Cp,gas | 1011.79 | J/mol×K | 896.66 | Joback Calculated Property |
| Cp,gas | 1027.90 | J/mol×K | 928.78 | Joback Calculated Property |
| Cp,gas | 1043.08 | J/mol×K | 960.91 | Joback Calculated Property |
| Cp,gas | 1057.36 | J/mol×K | 993.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-butyl-N-hept-2-yl-.
Sources
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