- InChI
- InChI=1S/C22H36ClNO/c1-3-5-7-9-11-13-19-24(18-12-10-8-6-4-2)22(25)20-14-16-21(23)17-15-20/h14-17H,3-13,18-19H2,1-2H3
- InChI Key
- YNGWSACUMIXQBU-UHFFFAOYSA-N
- Formula
- C22H36ClNO
- SMILES
-
CCCCCCCCN(CCCCCCC)C(=O)c1ccc(C
l)cc1 - Molecular Weight1
- 365.98
- 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 | 0.9751 | Relay (1.0) Calculated Property | |
| ΔfG° | 207.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -416.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.113 | Crippen Calculated Property | |
| McVol | 320.870 | ml/mol | McGowan Calculated Property |
| Pc | 1118.56 | kPa | Joback Calculated Property |
| Inp | [2574.00; 2574.00] |
|
|
| Inp | 2574.00 | NIST | |
| Inp | 2574.00 | NIST | |
| Tboil | 662.24 | K | Relay (1.0) Calculated Property |
| Tc | 867.27 | K | Relay (1.0) Calculated Property |
| Tfus | 301.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.193 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [988.64; 1082.20] | J/mol×K | [838.16; 1034.62] |
|
| Cp,gas | 988.64 | J/mol×K | 838.16 | Joback Calculated Property |
| Cp,gas | 1006.70 | J/mol×K | 870.90 | Joback Calculated Property |
| Cp,gas | 1023.69 | J/mol×K | 903.65 | Joback Calculated Property |
| Cp,gas | 1039.67 | J/mol×K | 936.39 | Joback Calculated Property |
| Cp,gas | 1054.71 | J/mol×K | 969.13 | Joback Calculated Property |
| Cp,gas | 1068.87 | J/mol×K | 1001.88 | Joback Calculated Property |
| Cp,gas | 1082.20 | J/mol×K | 1034.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-heptyl-N-octyl-4-chloro-.
Sources
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