- InChI
- InChI=1S/C21H32ClNO3/c1-2-3-4-5-6-7-8-9-12-17-26-20(24)15-16-23-21(25)18-13-10-11-14-19(18)22/h10-11,13-14H,2-9,12,15-17H2,1H3,(H,23,25)
- InChI Key
- OGLQUWIGLHDZMG-UHFFFAOYSA-N
- Formula
- C21H32ClNO3
- SMILES
-
CCCCCCCCCCCOC(=O)CCNC(=O)c1ccc
cc1Cl - Molecular Weight1
- 381.94
- 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 | 1.0475 | Relay (1.0) Calculated Property | |
| ΔfG° | -56.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -727.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.534 | Crippen Calculated Property | |
| McVol | 314.220 | ml/mol | McGowan Calculated Property |
| Pc | 1245.97 | kPa | Joback Calculated Property |
| Inp | 3062.00 | NIST | |
| Tboil | 663.65 | K | Relay (1.0) Calculated Property |
| Tc | 904.72 | K | Relay (1.0) Calculated Property |
| Tfus | 333.38 | K | Relay (1.0) Calculated Property |
| Vc | 1.157 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [994.05; 1067.41] | J/mol×K | [929.30; 1140.86] | 
|
| Cp,gas | 994.05 | J/mol×K | 929.30 | Joback Calculated Property |
| Cp,gas | 1009.00 | J/mol×K | 964.56 | Joback Calculated Property |
| Cp,gas | 1022.80 | J/mol×K | 999.82 | Joback Calculated Property |
| Cp,gas | 1035.50 | J/mol×K | 1035.08 | Joback Calculated Property |
| Cp,gas | 1047.13 | J/mol×K | 1070.34 | Joback Calculated Property |
| Cp,gas | 1057.75 | J/mol×K | 1105.60 | Joback Calculated Property |
| Cp,gas | 1067.41 | J/mol×K | 1140.86 | Joback Calculated Property |
Similar Compounds
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Sources
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