- InChI
- InChI=1S/C23H39NO/c1-3-5-7-8-9-10-11-12-13-14-20-24-23(25)22-18-16-21(17-19-22)15-6-4-2/h16-19H,3-15,20H2,1-2H3,(H,24,25)
- InChI Key
- IBBILQMGVQQKQK-UHFFFAOYSA-N
- Formula
- C23H39NO
- SMILES
-
CCCCCCCCCCCCNC(=O)c1ccc(CCCC)c
c1 - Molecular Weight1
- 345.56
- 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 | 1.0439 | Relay (1.0) Calculated Property | |
| ΔfG° | 206.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -449.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.680 | Crippen Calculated Property | |
| McVol | 322.720 | ml/mol | McGowan Calculated Property |
| Pc | 1086.35 | kPa | Joback Calculated Property |
| Inp | [2942.00; 2942.00] |
|
|
| Inp | 2942.00 | NIST | |
| Inp | 2942.00 | NIST | |
| Tboil | 661.56 | K | Relay (1.0) Calculated Property |
| Tc | 884.46 | K | Relay (1.0) Calculated Property |
| Tfus | 321.77 | K | Relay (1.0) Calculated Property |
| Vc | 1.219 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1039.02; 1135.47] | J/mol×K | [861.34; 1059.32] |
|
| Cp,gas | 1039.02 | J/mol×K | 861.34 | Joback Calculated Property |
| Cp,gas | 1057.69 | J/mol×K | 894.34 | Joback Calculated Property |
| Cp,gas | 1075.25 | J/mol×K | 927.33 | Joback Calculated Property |
| Cp,gas | 1091.75 | J/mol×K | 960.33 | Joback Calculated Property |
| Cp,gas | 1107.24 | J/mol×K | 993.32 | Joback Calculated Property |
| Cp,gas | 1121.80 | J/mol×K | 1026.32 | Joback Calculated Property |
| Cp,gas | 1135.47 | J/mol×K | 1059.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-dodecyl-.
Sources
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