- InChI
- InChI=1S/C16H27Cl3O4/c1-2-3-12-22-14(20)10-8-6-4-5-7-9-11-15(21)23-13-16(17,18)19/h2-13H2,1H3
- InChI Key
- BRXPFIRGSPDVTJ-UHFFFAOYSA-N
- Formula
- C16H27Cl3O4
- SMILES
-
CCCCOC(=O)CCCCCCCCC(=O)OCC(Cl)
(Cl)Cl - Molecular Weight1
- 389.74
- 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° | -416.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -919.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.38 | kJ/mol | Joback Calculated Property |
| log10WS | -5.81 | Crippen Calculated Property | |
| logPoct/wat | 5.364 | Crippen Calculated Property | |
| McVol | 287.900 | ml/mol | McGowan Calculated Property |
| Pc | 1318.48 | kPa | Joback Calculated Property |
| Inp | [2417.00; 2417.00] |
|
|
| Inp | 2417.00 | NIST | |
| Inp | 2417.00 | NIST | |
| Tboil | 827.12 | K | Joback Calculated Property |
| Tc | 1023.65 | K | Joback Calculated Property |
| Tfus | 506.58 | K | Joback Calculated Property |
| Vc | 1.115 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [822.70; 892.96] | J/mol×K | [827.12; 1023.65] |
|
| Cp,gas | 822.70 | J/mol×K | 827.12 | Joback Calculated Property |
| Cp,gas | 836.62 | J/mol×K | 859.88 | Joback Calculated Property |
| Cp,gas | 849.62 | J/mol×K | 892.63 | Joback Calculated Property |
| Cp,gas | 861.72 | J/mol×K | 925.39 | Joback Calculated Property |
| Cp,gas | 872.95 | J/mol×K | 958.14 | Joback Calculated Property |
| Cp,gas | 883.35 | J/mol×K | 990.90 | Joback Calculated Property |
| Cp,gas | 892.96 | J/mol×K | 1023.65 | Joback Calculated Property |
| η | [0.0000477; 0.0005990] | Pa×s | [506.58; 827.12] |
|
| η | 0.0005990 | Pa×s | 506.58 | Joback Calculated Property |
| η | 0.0003213 | Pa×s | 560.00 | Joback Calculated Property |
| η | 0.0001921 | Pa×s | 613.43 | Joback Calculated Property |
| η | 0.0001247 | Pa×s | 666.85 | Joback Calculated Property |
| η | 0.0000863 | Pa×s | 720.27 | Joback Calculated Property |
| η | 0.0000628 | Pa×s | 773.70 | Joback Calculated Property |
| η | 0.0000477 | Pa×s | 827.12 | Joback Calculated Property |
Similar Compounds
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Sources
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