- InChI
- InChI=1S/C19H28ClNO3/c1-3-4-5-6-7-8-9-14-24-18(22)15-21(2)19(23)16-10-12-17(20)13-11-16/h10-13H,3-9,14-15H2,1-2H3
- InChI Key
- VNSOENDCYXSYBU-UHFFFAOYSA-N
- Formula
- C19H28ClNO3
- SMILES
-
CCCCCCCCCOC(=O)CN(C)C(=O)c1ccc
(Cl)cc1 - Molecular Weight1
- 353.88
- 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 | 0.9368 | Relay (1.0) Calculated Property | |
| ΔfG° | -52.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -637.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.706 | Crippen Calculated Property | |
| McVol | 286.040 | ml/mol | McGowan Calculated Property |
| Pc | 1417.57 | kPa | Joback Calculated Property |
| Inp | [2679.00; 2679.00] |
|
|
| Inp | 2679.00 | NIST | |
| Inp | 2679.00 | NIST | |
| Tboil | 651.89 | K | Relay (1.0) Calculated Property |
| Tc | 861.18 | K | Relay (1.0) Calculated Property |
| Tfus | 311.27 | K | Relay (1.0) Calculated Property |
| Vc | 1.056 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [859.66; 936.18] | J/mol×K | [845.81; 1049.03] |
|
| Cp,gas | 859.66 | J/mol×K | 845.81 | Joback Calculated Property |
| Cp,gas | 874.90 | J/mol×K | 879.68 | Joback Calculated Property |
| Cp,gas | 889.09 | J/mol×K | 913.55 | Joback Calculated Property |
| Cp,gas | 902.27 | J/mol×K | 947.42 | Joback Calculated Property |
| Cp,gas | 914.48 | J/mol×K | 981.29 | Joback Calculated Property |
| Cp,gas | 925.77 | J/mol×K | 1015.16 | Joback Calculated Property |
| Cp,gas | 936.18 | J/mol×K | 1049.03 | Joback Calculated Property |
Similar Compounds
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Sources
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