- InChI
- InChI=1S/C27H47NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-24-28-27(29)26-22-20-25(21-23-26)19-6-4-2/h20-23H,3-19,24H2,1-2H3,(H,28,29)
- InChI Key
- LSEBGNRMCWRFBQ-UHFFFAOYSA-N
- Formula
- C27H47NO
- SMILES
-
CCCCCCCCCCCCCCCCNC(=O)c1ccc(CC
CC)cc1 - Molecular Weight1
- 401.67
- 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 | 1.1850 | Relay (1.0) Calculated Property | |
| ΔfG° | 239.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -535.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.240 | Crippen Calculated Property | |
| McVol | 379.080 | ml/mol | McGowan Calculated Property |
| Pc | 855.96 | kPa | Joback Calculated Property |
| Inp | [3358.00; 3358.00] |
|
|
| Inp | 3358.00 | NIST | |
| Inp | 3358.00 | NIST | |
| Tboil | 686.82 | K | Relay (1.0) Calculated Property |
| Tc | 910.77 | K | Relay (1.0) Calculated Property |
| Tfus | 331.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.440 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1290.16; 1393.70] | J/mol×K | [952.86; 1166.88] |
|
| Cp,gas | 1290.16 | J/mol×K | 952.86 | Joback Calculated Property |
| Cp,gas | 1310.40 | J/mol×K | 988.53 | Joback Calculated Property |
| Cp,gas | 1329.33 | J/mol×K | 1024.20 | Joback Calculated Property |
| Cp,gas | 1347.04 | J/mol×K | 1059.87 | Joback Calculated Property |
| Cp,gas | 1363.62 | J/mol×K | 1095.54 | Joback Calculated Property |
| Cp,gas | 1379.14 | J/mol×K | 1131.21 | Joback Calculated Property |
| Cp,gas | 1393.70 | J/mol×K | 1166.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-hexadecyl-.
Sources
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