- InChI
- InChI=1S/C18H26ClNO3/c1-3-4-5-6-7-10-13-23-18(22)14(2)20-17(21)15-11-8-9-12-16(15)19/h8-9,11-12,14H,3-7,10,13H2,1-2H3,(H,20,21)
- InChI Key
- OIXDLRASFXWLAP-UHFFFAOYSA-N
- Formula
- C18H26ClNO3
- SMILES
-
CCCCCCCCOC(=O)C(C)NC(=O)c1cccc
c1Cl - Molecular Weight1
- 339.86
- 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 | 0.8801 | Relay (1.0) Calculated Property | |
| ΔfG° | -84.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -655.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.362 | Crippen Calculated Property | |
| McVol | 271.950 | ml/mol | McGowan Calculated Property |
| Pc | 1553.67 | kPa | Joback Calculated Property |
| Inp | 2537.00 | NIST | |
| Tboil | 621.87 | K | Relay (1.0) Calculated Property |
| Tc | 874.45 | K | Relay (1.0) Calculated Property |
| Tfus | 347.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.988 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [817.53; 888.13] | J/mol×K | [860.22; 1069.40] | 
|
| Cp,gas | 817.53 | J/mol×K | 860.22 | Joback Calculated Property |
| Cp,gas | 831.85 | J/mol×K | 895.08 | Joback Calculated Property |
| Cp,gas | 845.10 | J/mol×K | 929.95 | Joback Calculated Property |
| Cp,gas | 857.32 | J/mol×K | 964.81 | Joback Calculated Property |
| Cp,gas | 868.54 | J/mol×K | 999.67 | Joback Calculated Property |
| Cp,gas | 878.80 | J/mol×K | 1034.54 | Joback Calculated Property |
| Cp,gas | 888.13 | J/mol×K | 1069.40 | Joback Calculated Property |
Similar Compounds
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Sources
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