- InChI
- InChI=1S/C22H41ClO4/c1-2-26-21(24)17-13-9-5-6-10-14-18-22(25)27-20-16-12-8-4-3-7-11-15-19-23/h2-20H2,1H3
- InChI Key
- IOEWKIOXNCTQAY-UHFFFAOYSA-N
- Formula
- C22H41ClO4
- SMILES
-
CCOC(=O)CCCCCCCCC(=O)OCCCCCCCC
CCCl - Molecular Weight1
- 405.01
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 1.1466 | Relay (1.0) Calculated Property | |
| ΔfG° | -498.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1143.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.573 | Crippen Calculated Property | |
| McVol | 347.960 | ml/mol | McGowan Calculated Property |
| Pc | 887.35 | kPa | Joback Calculated Property |
| Inp | 2897.00 | NIST | |
| Tboil | 637.72 | K | Relay (1.0) Calculated Property |
| Tc | 828.43 | K | Relay (1.0) Calculated Property |
| Tfus | 304.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.338 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1106.79; 1198.00] | J/mol×K | [856.83; 1049.01] | 
|
| Cp,gas | 1106.79 | J/mol×K | 856.83 | Joback Calculated Property |
| Cp,gas | 1125.06 | J/mol×K | 888.86 | Joback Calculated Property |
| Cp,gas | 1142.06 | J/mol×K | 920.89 | Joback Calculated Property |
| Cp,gas | 1157.83 | J/mol×K | 952.92 | Joback Calculated Property |
| Cp,gas | 1172.39 | J/mol×K | 984.95 | Joback Calculated Property |
| Cp,gas | 1185.77 | J/mol×K | 1016.98 | Joback Calculated Property |
| Cp,gas | 1198.00 | J/mol×K | 1049.01 | Joback Calculated Property |
| η | [0.0000261; 0.0008457] | Pa×s | [452.28; 856.83] |
|
| η | 0.0008457 | Pa×s | 452.28 | Joback Calculated Property |
| η | 0.0003251 | Pa×s | 519.70 | Joback Calculated Property |
| η | 0.0001557 | Pa×s | 587.13 | Joback Calculated Property |
| η | 0.0000867 | Pa×s | 654.55 | Joback Calculated Property |
| η | 0.0000539 | Pa×s | 721.98 | Joback Calculated Property |
| η | 0.0000364 | Pa×s | 789.40 | Joback Calculated Property |
| η | 0.0000261 | Pa×s | 856.83 | Joback Calculated Property |
Similar Compounds
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Sources
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