- InChI
- InChI=1S/C21H31ClO4/c1-3-4-5-6-7-8-9-17(2)26-21(24)15-14-20(23)25-16-18-10-12-19(22)13-11-18/h10-13,17H,3-9,14-16H2,1-2H3
- InChI Key
- CKUKUWFNCQURLC-UHFFFAOYSA-N
- Formula
- C21H31ClO4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCC(=O)OCc1c
cc(Cl)cc1 - Molecular Weight1
- 382.92
- 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° | -253.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -762.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.59 | kJ/mol | Joback Calculated Property |
| log10WS | -6.73 | Crippen Calculated Property | |
| logPoct/wat | 5.846 | Crippen Calculated Property | |
| McVol | 310.110 | ml/mol | McGowan Calculated Property |
| Pc | 1226.84 | kPa | Joback Calculated Property |
| Inp | [2695.00; 2695.00] |
|
|
| Inp | 2695.00 | NIST | |
| Inp | 2695.00 | NIST | |
| Tboil | 901.11 | K | Joback Calculated Property |
| Tc | 1109.38 | K | Joback Calculated Property |
| Tfus | 524.61 | K | Joback Calculated Property |
| Vc | 1.194 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [964.82; 1038.42] | J/mol×K | [901.11; 1109.38] |
|
| Cp,gas | 964.82 | J/mol×K | 901.11 | Joback Calculated Property |
| Cp,gas | 980.06 | J/mol×K | 935.82 | Joback Calculated Property |
| Cp,gas | 994.07 | J/mol×K | 970.53 | Joback Calculated Property |
| Cp,gas | 1006.88 | J/mol×K | 1005.25 | Joback Calculated Property |
| Cp,gas | 1018.52 | J/mol×K | 1039.96 | Joback Calculated Property |
| Cp,gas | 1029.03 | J/mol×K | 1074.67 | Joback Calculated Property |
| Cp,gas | 1038.42 | J/mol×K | 1109.38 | Joback Calculated Property |
| η | [0.0000373; 0.0004830] | Pa×s | [524.61; 901.11] |
|
| η | 0.0004830 | Pa×s | 524.61 | Joback Calculated Property |
| η | 0.0002509 | Pa×s | 587.36 | Joback Calculated Property |
| η | 0.0001479 | Pa×s | 650.11 | Joback Calculated Property |
| η | 0.0000957 | Pa×s | 712.86 | Joback Calculated Property |
| η | 0.0000664 | Pa×s | 775.61 | Joback Calculated Property |
| η | 0.0000487 | Pa×s | 838.36 | Joback Calculated Property |
| η | 0.0000373 | Pa×s | 901.11 | Joback Calculated Property |
Similar Compounds
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Sources
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