- InChI
- InChI=1S/C22H34ClNO3/c1-3-4-5-6-7-8-9-10-11-14-17-27-21(25)18-24(2)22(26)19-15-12-13-16-20(19)23/h12-13,15-16H,3-11,14,17-18H2,1-2H3
- InChI Key
- QNPJVNNCUBIYBF-UHFFFAOYSA-N
- Formula
- C22H34ClNO3
- SMILES
-
CCCCCCCCCCCCOC(=O)CN(C)C(=O)c1
ccccc1Cl - Molecular Weight1
- 395.96
- 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 | 1.0455 | Relay (... Calculated Property | |
| ΔfG° | -26.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -704.51 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 57.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.38 | kJ/mol | Relay (... Calculated Property |
| IE | 8.73 | eV | Relay (... Calculated Property |
| log10WS | -6.20 | Relay (... Calculated Property | |
| logPoct/wat | 5.876 | Crippen Calculated Property | |
| McVol | 328.310 | ml/mol | McGowan Calculated Property |
| Pc | 1153.78 | kPa | Joback Calculated Property |
| Inp | 3036.00 | NIST | |
| Tboil | 663.55 | K | Relay (... Calculated Property |
| Tc | 889.60 | K | Relay (... Calculated Property |
| Tfus | 316.07 | K | Relay (... Calculated Property |
| Vc | 1.224 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1038.17; 1117.98] | J/mol×K | [914.45; 1122.44] | 
|
| Cp,gas | 1038.17 | J/mol×K | 914.45 | Joback Calculated Property |
| Cp,gas | 1054.18 | J/mol×K | 949.11 | Joback Calculated Property |
| Cp,gas | 1069.03 | J/mol×K | 983.78 | Joback Calculated Property |
| Cp,gas | 1082.78 | J/mol×K | 1018.44 | Joback Calculated Property |
| Cp,gas | 1095.49 | J/mol×K | 1053.11 | Joback Calculated Property |
| Cp,gas | 1107.20 | J/mol×K | 1087.77 | Joback Calculated Property |
| Cp,gas | 1117.98 | J/mol×K | 1122.44 | Joback Calculated Property |
Similar Compounds
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Sources
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