- InChI
- InChI=1S/C24H38ClNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-29-23(27)20-26(2)24(28)21-15-17-22(25)18-16-21/h15-18H,3-14,19-20H2,1-2H3
- InChI Key
- GVTFKZULRJMDTB-UHFFFAOYSA-N
- Formula
- C24H38ClNO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CN(C)C(=O)
c1ccc(Cl)cc1 - Molecular Weight1
- 424.02
- 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).
- 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 | 1.1200 | Relay (1.0) Calculated Property | |
| ΔfG° | -10.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -747.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.656 | Crippen Calculated Property | |
| McVol | 356.490 | ml/mol | McGowan Calculated Property |
| Pc | 1016.83 | kPa | Joback Calculated Property |
| Tboil | 685.99 | K | Relay (1.0) Calculated Property |
| Tc | 896.22 | K | Relay (1.0) Calculated Property |
| Tfus | 320.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.331 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1160.44; 1242.70] | J/mol×K | [960.21; 1175.66] | 
|
| Cp,gas | 1160.44 | J/mol×K | 960.21 | Joback Calculated Property |
| Cp,gas | 1177.06 | J/mol×K | 996.12 | Joback Calculated Property |
| Cp,gas | 1192.43 | J/mol×K | 1032.03 | Joback Calculated Property |
| Cp,gas | 1206.61 | J/mol×K | 1067.94 | Joback Calculated Property |
| Cp,gas | 1219.67 | J/mol×K | 1103.84 | Joback Calculated Property |
| Cp,gas | 1231.67 | J/mol×K | 1139.75 | Joback Calculated Property |
| Cp,gas | 1242.70 | J/mol×K | 1175.66 | Joback Calculated Property |
Similar Compounds
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Sources
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