- InChI
- InChI=1S/C18H26ClNO3/c1-3-4-5-6-7-10-13-23-17(21)14-20(2)18(22)15-11-8-9-12-16(15)19/h8-9,11-12H,3-7,10,13-14H2,1-2H3
- InChI Key
- CEZWRROFJUFQGM-UHFFFAOYSA-N
- Formula
- C18H26ClNO3
- SMILES
-
CCCCCCCCOC(=O)CN(C)C(=O)c1cccc
c1Cl - Molecular Weight1
- 339.86
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -60.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -495.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.93 | kJ/mol | Joback Calculated Property |
| log10WS | -4.93 | Crippen Calculated Property | |
| logPoct/wat | 4.316 | Crippen Calculated Property | |
| McVol | 271.950 | ml/mol | McGowan Calculated Property |
| Pc | 1525.88 | kPa | Joback Calculated Property |
| Inp | 2536.00 | NIST | |
| Tboil | 822.93 | K | Joback Calculated Property |
| Tc | 1026.04 | K | Joback Calculated Property |
| Tfus | 516.04 | K | Joback Calculated Property |
| Vc | 1.032 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [801.68; 877.06] | J/mol×K | [822.93; 1026.04] | 
|
| Cp,gas | 801.68 | J/mol×K | 822.93 | Joback Calculated Property |
| Cp,gas | 816.68 | J/mol×K | 856.78 | Joback Calculated Property |
| Cp,gas | 830.65 | J/mol×K | 890.63 | Joback Calculated Property |
| Cp,gas | 843.63 | J/mol×K | 924.49 | Joback Calculated Property |
| Cp,gas | 855.66 | J/mol×K | 958.34 | Joback Calculated Property |
| Cp,gas | 866.79 | J/mol×K | 992.19 | Joback Calculated Property |
| Cp,gas | 877.06 | J/mol×K | 1026.04 | Joback Calculated Property |
Similar Compounds
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Sources
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