- InChI
- InChI=1S/C20H30ClNO3/c1-3-4-5-6-7-8-9-10-15-25-19(23)16-22(2)20(24)17-11-13-18(21)14-12-17/h11-14H,3-10,15-16H2,1-2H3
- InChI Key
- UPRSSGWYPBBRLK-UHFFFAOYSA-N
- Formula
- C20H30ClNO3
- SMILES
-
CCCCCCCCCCOC(=O)CN(C)C(=O)c1cc
c(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 | 0.9747 | Relay (1.0) Calculated Property | |
| ΔfG° | -43.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -659.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.096 | Crippen Calculated Property | |
| McVol | 300.130 | ml/mol | McGowan Calculated Property |
| Pc | 1320.39 | kPa | Joback Calculated Property |
| Inp | [2796.00; 2796.00] |
|
|
| Inp | 2796.00 | NIST | |
| Inp | 2796.00 | NIST | |
| Tboil | 658.82 | K | Relay (1.0) Calculated Property |
| Tc | 868.66 | K | Relay (1.0) Calculated Property |
| Tfus | 312.97 | K | Relay (1.0) Calculated Property |
| Vc | 1.111 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [918.44; 996.06] | J/mol×K | [868.69; 1072.72] |
|
| Cp,gas | 918.44 | J/mol×K | 868.69 | Joback Calculated Property |
| Cp,gas | 933.93 | J/mol×K | 902.70 | Joback Calculated Property |
| Cp,gas | 948.33 | J/mol×K | 936.70 | Joback Calculated Property |
| Cp,gas | 961.70 | J/mol×K | 970.71 | Joback Calculated Property |
| Cp,gas | 974.08 | J/mol×K | 1004.71 | Joback Calculated Property |
| Cp,gas | 985.51 | J/mol×K | 1038.72 | Joback Calculated Property |
| Cp,gas | 996.06 | J/mol×K | 1072.72 | Joback Calculated Property |
Similar Compounds
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Sources
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