- InChI
- InChI=1S/C20H30ClNO3/c1-3-4-5-6-7-8-9-12-15-25-20(24)16(2)22-19(23)17-13-10-11-14-18(17)21/h10-11,13-14,16H,3-9,12,15H2,1-2H3,(H,22,23)
- InChI Key
- RSIQHWCJHVROCB-UHFFFAOYSA-N
- Formula
- C20H30ClNO3
- SMILES
-
CCCCCCCCCCOC(=O)C(C)NC(=O)c1cc
ccc1Cl - Molecular Weight1
- 367.91
- 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 | 0.9591 | Relay (1.0) Calculated Property | |
| ΔfG° | -67.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -698.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.142 | Crippen Calculated Property | |
| McVol | 300.130 | ml/mol | McGowan Calculated Property |
| Pc | 1342.74 | kPa | Joback Calculated Property |
| Inp | 2741.00 | NIST | |
| Tboil | 635.72 | K | Relay (1.0) Calculated Property |
| Tc | 889.45 | K | Relay (1.0) Calculated Property |
| Tfus | 350.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.097 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [934.82; 1007.19] | J/mol×K | [905.98; 1116.58] | 
|
| Cp,gas | 934.82 | J/mol×K | 905.98 | Joback Calculated Property |
| Cp,gas | 949.58 | J/mol×K | 941.08 | Joback Calculated Property |
| Cp,gas | 963.20 | J/mol×K | 976.18 | Joback Calculated Property |
| Cp,gas | 975.73 | J/mol×K | 1011.28 | Joback Calculated Property |
| Cp,gas | 987.20 | J/mol×K | 1046.38 | Joback Calculated Property |
| Cp,gas | 997.68 | J/mol×K | 1081.48 | Joback Calculated Property |
| Cp,gas | 1007.19 | J/mol×K | 1116.58 | Joback Calculated Property |
Similar Compounds
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Sources
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