- InChI
- InChI=1S/C17H22Cl2O4/c1-2-8-22-16(20)6-4-3-5-7-17(21)23-12-13-9-14(18)11-15(19)10-13/h9-11H,2-8,12H2,1H3
- InChI Key
- QLCZPDGKGHQYRV-UHFFFAOYSA-N
- Formula
- C17H22Cl2O4
- SMILES
-
CCCOC(=O)CCCCCC(=O)OCc1cc(Cl)c
c(Cl)c1 - Molecular Weight1
- 361.26
- 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° | -306.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -701.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.12 | kJ/mol | Joback Calculated Property |
| log10WS | -5.63 | Crippen Calculated Property | |
| logPoct/wat | 4.940 | Crippen Calculated Property | |
| McVol | 265.990 | ml/mol | McGowan Calculated Property |
| Pc | 1561.05 | kPa | Joback Calculated Property |
| Inp | [2495.00; 2495.00] |
|
|
| Inp | 2495.00 | NIST | |
| Inp | 2495.00 | NIST | |
| Tboil | 852.44 | K | Joback Calculated Property |
| Tc | 1062.07 | K | Joback Calculated Property |
| Tfus | 536.97 | K | Joback Calculated Property |
| Vc | 1.026 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [755.26; 818.20] | J/mol×K | [852.44; 1062.07] |
|
| Cp,gas | 755.26 | J/mol×K | 852.44 | Joback Calculated Property |
| Cp,gas | 768.31 | J/mol×K | 887.38 | Joback Calculated Property |
| Cp,gas | 780.32 | J/mol×K | 922.32 | Joback Calculated Property |
| Cp,gas | 791.29 | J/mol×K | 957.25 | Joback Calculated Property |
| Cp,gas | 801.26 | J/mol×K | 992.19 | Joback Calculated Property |
| Cp,gas | 810.22 | J/mol×K | 1027.13 | Joback Calculated Property |
| Cp,gas | 818.20 | J/mol×K | 1062.07 | Joback Calculated Property |
| η | [0.0000634; 0.0004746] | Pa×s | [536.97; 852.44] |
|
| η | 0.0004746 | Pa×s | 536.97 | Joback Calculated Property |
| η | 0.0002921 | Pa×s | 589.55 | Joback Calculated Property |
| η | 0.0001947 | Pa×s | 642.13 | Joback Calculated Property |
| η | 0.0001380 | Pa×s | 694.70 | Joback Calculated Property |
| η | 0.0001026 | Pa×s | 747.28 | Joback Calculated Property |
| η | 0.0000794 | Pa×s | 799.86 | Joback Calculated Property |
| η | 0.0000634 | Pa×s | 852.44 | Joback Calculated Property |
Similar Compounds
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Sources
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