- InChI
- InChI=1S/C19H18Cl2O4/c1-12(2)10-24-18(22)15-5-3-4-6-16(15)19(23)25-11-13-7-8-14(20)9-17(13)21/h3-9,12H,10-11H2,1-2H3
- InChI Key
- JMLNRSVUVOCUHU-UHFFFAOYSA-N
- Formula
- C19H18Cl2O4
- SMILES
-
CC(C)COC(=O)c1ccccc1C(=O)OCc1c
cc(Cl)cc1Cl - Molecular Weight1
- 381.25
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8549 | Relay (1.0) Calculated Property | |
| ΔfG° | -189.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -632.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.163 | Crippen Calculated Property | |
| McVol | 270.410 | ml/mol | McGowan Calculated Property |
| Pc | 1737.56 | kPa | Joback Calculated Property |
| Inp | [2566.00; 2566.00] |
|
|
| Inp | 2566.00 | NIST | |
| Inp | 2566.00 | NIST | |
| Tboil | 667.64 | K | Relay (1.0) Calculated Property |
| Tc | 924.04 | K | Relay (1.0) Calculated Property |
| Tfus | 320.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.976 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [766.38; 814.58] | J/mol×K | [929.42; 1166.09] |
|
| Cp,gas | 766.38 | J/mol×K | 929.42 | Joback Calculated Property |
| Cp,gas | 777.59 | J/mol×K | 968.87 | Joback Calculated Property |
| Cp,gas | 787.48 | J/mol×K | 1008.31 | Joback Calculated Property |
| Cp,gas | 796.10 | J/mol×K | 1047.76 | Joback Calculated Property |
| Cp,gas | 803.46 | J/mol×K | 1087.20 | Joback Calculated Property |
| Cp,gas | 809.61 | J/mol×K | 1126.65 | Joback Calculated Property |
| Cp,gas | 814.58 | J/mol×K | 1166.09 | Joback Calculated Property |
| η | [0.0000457; 0.0003363] | Pa×s | [583.45; 929.42] |
|
| η | 0.0003363 | Pa×s | 583.45 | Joback Calculated Property |
| η | 0.0002076 | Pa×s | 641.11 | Joback Calculated Property |
| η | 0.0001387 | Pa×s | 698.77 | Joback Calculated Property |
| η | 0.0000986 | Pa×s | 756.44 | Joback Calculated Property |
| η | 0.0000736 | Pa×s | 814.10 | Joback Calculated Property |
| η | 0.0000570 | Pa×s | 871.76 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 929.42 | Joback Calculated Property |
Similar Compounds
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Sources
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