- 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° | 119.27 | 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 | 886.61 | K | Relay (1.0) Calculated Property |
| Tfus | 314.68 | K | Relay (1.0) Calculated Property |
| Vc | 1.221 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.80; 1110.26] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.14760e+01 | |||
| Coefficient B | 2.09864e+00 | |||
| Coefficient C | -1.22146e-03 | |||
| Coefficient D | 2.64560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 455.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 569.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 671.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 761.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 841.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 911.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 972.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1025.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1071.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1110.26 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-dodecyl-.
Sources
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