- InChI
- InChI=1S/C21H31ClO5/c1-2-3-4-5-6-7-8-9-14-26-20(23)16-25-17-21(24)27-15-18-10-12-19(22)13-11-18/h10-13H,2-9,14-17H2,1H3
- InChI Key
- LNWUEUDZTRVYAT-UHFFFAOYSA-N
- Formula
- C21H31ClO5
- SMILES
-
CCCCCCCCCCOC(=O)COCC(=O)OCc1cc
c(Cl)cc1 - Molecular Weight1
- 398.92
- 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).
- 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° | -356.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -889.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.38 | kJ/mol | Joback Calculated Property |
| log10WS | -5.71 | Crippen Calculated Property | |
| logPoct/wat | 5.084 | Crippen Calculated Property | |
| McVol | 315.980 | ml/mol | McGowan Calculated Property |
| Pc | 1205.63 | kPa | Joback Calculated Property |
| Inp | [3604.00; 3604.00] |
|
|
| Inp | 3604.00 | NIST | |
| Inp | 3604.00 | NIST | |
| Tboil | 923.97 | K | Joback Calculated Property |
| Tc | 1133.80 | K | Joback Calculated Property |
| Tfus | 561.84 | K | Joback Calculated Property |
| Vc | 1.218 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [992.98; 1060.86] | J/mol×K | [923.97; 1133.80] |
|
| Cp,gas | 992.98 | J/mol×K | 923.97 | Joback Calculated Property |
| Cp,gas | 1007.56 | J/mol×K | 958.94 | Joback Calculated Property |
| Cp,gas | 1020.81 | J/mol×K | 993.91 | Joback Calculated Property |
| Cp,gas | 1032.75 | J/mol×K | 1028.89 | Joback Calculated Property |
| Cp,gas | 1043.39 | J/mol×K | 1063.86 | Joback Calculated Property |
| Cp,gas | 1052.76 | J/mol×K | 1098.83 | Joback Calculated Property |
| Cp,gas | 1060.86 | J/mol×K | 1133.80 | Joback Calculated Property |
| η | [0.0000303; 0.0003027] | Pa×s | [561.84; 923.97] |
|
| η | 0.0003027 | Pa×s | 561.84 | Joback Calculated Property |
| η | 0.0001712 | Pa×s | 622.20 | Joback Calculated Property |
| η | 0.0001071 | Pa×s | 682.55 | Joback Calculated Property |
| η | 0.0000723 | Pa×s | 742.90 | Joback Calculated Property |
| η | 0.0000518 | Pa×s | 803.26 | Joback Calculated Property |
| η | 0.0000389 | Pa×s | 863.62 | Joback Calculated Property |
| η | 0.0000303 | Pa×s | 923.97 | Joback Calculated Property |
Similar Compounds
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Sources
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