- InChI
- InChI=1S/C20H30ClNO3/c1-2-3-4-5-6-7-8-9-16-25-19(23)14-15-22-20(24)17-10-12-18(21)13-11-17/h10-13H,2-9,14-16H2,1H3,(H,22,24)
- InChI Key
- YCYJYQKVEYADGA-UHFFFAOYSA-N
- Formula
- C20H30ClNO3
- SMILES
-
CCCCCCCCCCOC(=O)CCNC(=O)c1ccc(
Cl)cc1 - 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 | 1.0128 | Relay (1.0) Calculated Property | |
| ΔfG° | -65.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.144 | Crippen Calculated Property | |
| McVol | 300.130 | ml/mol | McGowan Calculated Property |
| Pc | 1334.91 | kPa | Joback Calculated Property |
| Inp | 2967.00 | NIST | |
| Tboil | 665.69 | K | Relay (1.0) Calculated Property |
| Tc | 891.33 | K | Relay (1.0) Calculated Property |
| Tfus | 334.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.101 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [934.33; 1006.72] | J/mol×K | [906.42; 1115.72] | 
|
| Cp,gas | 934.33 | J/mol×K | 906.42 | Joback Calculated Property |
| Cp,gas | 949.03 | J/mol×K | 941.30 | Joback Calculated Property |
| Cp,gas | 962.62 | J/mol×K | 976.19 | Joback Calculated Property |
| Cp,gas | 975.14 | J/mol×K | 1011.07 | Joback Calculated Property |
| Cp,gas | 986.63 | J/mol×K | 1045.95 | Joback Calculated Property |
| Cp,gas | 997.15 | J/mol×K | 1080.83 | Joback Calculated Property |
| Cp,gas | 1006.72 | J/mol×K | 1115.72 | Joback Calculated Property |
Similar Compounds
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Sources
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