- InChI
- InChI=1S/C20H29ClO4/c1-15(2)13-16(3)25-20(23)8-6-4-5-7-19(22)24-14-17-9-11-18(21)12-10-17/h9-12,15-16H,4-8,13-14H2,1-3H3
- InChI Key
- BUUUGGKMBJHBMH-UHFFFAOYSA-N
- Formula
- C20H29ClO4
- SMILES
-
CC(C)CC(C)OC(=O)CCCCCC(=O)OCc1
ccc(Cl)cc1 - Molecular Weight1
- 368.89
- 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° | -264.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -746.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.97 | kJ/mol | Joback Calculated Property |
| log10WS | -6.07 | Crippen Calculated Property | |
| logPoct/wat | 5.311 | Crippen Calculated Property | |
| McVol | 296.020 | ml/mol | McGowan Calculated Property |
| Pc | 1321.35 | kPa | Joback Calculated Property |
| Inp | [2517.00; 2517.00] |
|
|
| Inp | 2517.00 | NIST | |
| Inp | 2517.00 | NIST | |
| Tboil | 877.79 | K | Joback Calculated Property |
| Tc | 1086.31 | K | Joback Calculated Property |
| Tfus | 498.34 | K | Joback Calculated Property |
| Vc | 1.133 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [905.98; 979.28] | J/mol×K | [877.79; 1086.31] |
|
| Cp,gas | 905.98 | J/mol×K | 877.79 | Joback Calculated Property |
| Cp,gas | 921.13 | J/mol×K | 912.54 | Joback Calculated Property |
| Cp,gas | 935.07 | J/mol×K | 947.30 | Joback Calculated Property |
| Cp,gas | 947.83 | J/mol×K | 982.05 | Joback Calculated Property |
| Cp,gas | 959.44 | J/mol×K | 1016.81 | Joback Calculated Property |
| Cp,gas | 969.91 | J/mol×K | 1051.56 | Joback Calculated Property |
| Cp,gas | 979.28 | J/mol×K | 1086.31 | Joback Calculated Property |
| η | [0.0000395; 0.0006126] | Pa×s | [498.34; 877.79] |
|
| η | 0.0006126 | Pa×s | 498.34 | Joback Calculated Property |
| η | 0.0003000 | Pa×s | 561.58 | Joback Calculated Property |
| η | 0.0001698 | Pa×s | 624.82 | Joback Calculated Property |
| η | 0.0001067 | Pa×s | 688.07 | Joback Calculated Property |
| η | 0.0000725 | Pa×s | 751.31 | Joback Calculated Property |
| η | 0.0000523 | Pa×s | 814.55 | Joback Calculated Property |
| η | 0.0000395 | Pa×s | 877.79 | Joback Calculated Property |
Similar Compounds
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Sources
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