- InChI
- InChI=1S/C25H43NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-22-26-25(27)24-20-18-23(19-21-24)17-6-4-2/h18-21H,3-17,22H2,1-2H3,(H,26,27)
- InChI Key
- PBRQXRXIMPKGRT-UHFFFAOYSA-N
- Formula
- C25H43NO
- SMILES
-
CCCCCCCCCCCCCCNC(=O)c1ccc(CCCC
)cc1 - Molecular Weight1
- 373.62
- 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 | 1.1145 | Relay (1.0) Calculated Property | |
| ΔfG° | 222.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -492.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.460 | Crippen Calculated Property | |
| McVol | 350.900 | ml/mol | McGowan Calculated Property |
| Pc | 960.88 | kPa | Joback Calculated Property |
| Inp | [3144.00; 3144.00] |
|
|
| Inp | 3144.00 | NIST | |
| Inp | 3144.00 | NIST | |
| Tboil | 674.27 | K | Relay (1.0) Calculated Property |
| Tc | 900.03 | K | Relay (1.0) Calculated Property |
| Tfus | 319.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.331 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1163.50; 1263.06] | J/mol×K | [907.30; 1111.51] |
|
| Cp,gas | 1163.50 | J/mol×K | 907.30 | Joback Calculated Property |
| Cp,gas | 1182.85 | J/mol×K | 941.33 | Joback Calculated Property |
| Cp,gas | 1201.01 | J/mol×K | 975.37 | Joback Calculated Property |
| Cp,gas | 1218.04 | J/mol×K | 1009.40 | Joback Calculated Property |
| Cp,gas | 1234.02 | J/mol×K | 1043.44 | Joback Calculated Property |
| Cp,gas | 1249.00 | J/mol×K | 1077.47 | Joback Calculated Property |
| Cp,gas | 1263.06 | J/mol×K | 1111.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-tetradecyl-.
Sources
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