- InChI
- InChI=1S/C22H41ClO4/c1-2-3-19-26-21(24)16-12-8-4-5-9-13-17-22(25)27-20-15-11-7-6-10-14-18-23/h2-20H2,1H3
- InChI Key
- IKYKJQFWLLNZHX-UHFFFAOYSA-N
- Formula
- C22H41ClO4
- SMILES
-
CCCCOC(=O)CCCCCCCCC(=O)OCCCCCC
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 | 1.1571 | Relay (1.0) Calculated Property | |
| ΔfG° | -345.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1141.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.573 | Crippen Calculated Property | |
| McVol | 347.960 | ml/mol | McGowan Calculated Property |
| Pc | 932.35 | kPa | Joback Calculated Property |
| Inp | 2896.00 | NIST | |
| Tboil | 637.64 | K | Relay (1.0) Calculated Property |
| Tc | 823.31 | K | Relay (1.0) Calculated Property |
| Tfus | 297.21 | K | Relay (1.0) Calculated Property |
| Vc | 1.335 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1123.47; 1214.62] | J/mol×K | [892.77; 1093.16] | 
|
| Cp,gas | 1123.47 | J/mol×K | 892.77 | Joback Calculated Property |
| Cp,gas | 1141.72 | J/mol×K | 926.17 | Joback Calculated Property |
| Cp,gas | 1158.72 | J/mol×K | 959.57 | Joback Calculated Property |
| Cp,gas | 1174.47 | J/mol×K | 992.96 | Joback Calculated Property |
| Cp,gas | 1189.02 | J/mol×K | 1026.36 | Joback Calculated Property |
| Cp,gas | 1202.40 | J/mol×K | 1059.76 | Joback Calculated Property |
| Cp,gas | 1214.62 | J/mol×K | 1093.16 | Joback Calculated Property |
| η | [0.0000337; 0.0005220] | Pa×s | [511.94; 892.77] |
|
| η | 0.0005220 | Pa×s | 511.94 | Joback Calculated Property |
| η | 0.0002569 | Pa×s | 575.41 | Joback Calculated Property |
| η | 0.0001456 | Pa×s | 638.88 | Joback Calculated Property |
| η | 0.0000914 | Pa×s | 702.36 | Joback Calculated Property |
| η | 0.0000620 | Pa×s | 765.83 | Joback Calculated Property |
| η | 0.0000446 | Pa×s | 829.30 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 892.77 | Joback Calculated Property |
Similar Compounds
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Sources
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