- InChI
- InChI=1S/C23H39NO/c1-4-7-10-11-12-13-20-24(19-9-6-3)23(25)22-17-15-21(16-18-22)14-8-5-2/h15-18H,4-14,19-20H2,1-3H3
- InChI Key
- REIHWJUUZYPLFQ-UHFFFAOYSA-N
- Formula
- C23H39NO
- SMILES
-
CCCCCCCCN(CCCC)C(=O)c1ccc(CCCC
)cc1 - Molecular Weight1
- 345.57
- 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 | 0.9908 | Relay (1.0) Calculated Property | |
| ΔfG° | 227.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -402.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.632 | Crippen Calculated Property | |
| McVol | 322.720 | ml/mol | McGowan Calculated Property |
| Pc | 1075.69 | kPa | Joback Calculated Property |
| Inp | [3199.00; 3199.00] |
|
|
| Inp | 3199.00 | NIST | |
| Inp | 3199.00 | NIST | |
| Tboil | 661.49 | K | Relay (1.0) Calculated Property |
| Tc | 862.30 | K | Relay (1.0) Calculated Property |
| Tfus | 267.77 | K | Relay (1.0) Calculated Property |
| Vc | 1.217 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.13; 1111.40] | 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 | -4.09570e+01 | |||
| Coefficient B | 2.14636e+00 | |||
| Coefficient C | -1.28546e-03 | |||
| Coefficient D | 2.91460e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 455.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 570.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 672.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 763.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 843.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 913.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 974.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1026.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1072.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1111.40 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-butyl-N-octyl-.
Sources
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