- InChI
- InChI=1S/C19H17Cl3O4/c1-11(2)9-25-18(23)13-5-3-4-6-14(13)19(24)26-10-15-16(21)7-12(20)8-17(15)22/h3-8,11H,9-10H2,1-2H3
- InChI Key
- SJRTYIOATZJLJK-UHFFFAOYSA-N
- Formula
- C19H17Cl3O4
- SMILES
-
CC(C)COC(=O)c1ccccc1C(=O)OCc1c
(Cl)cc(Cl)cc1Cl - Molecular Weight1
- 415.69
- 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 | 0.8845 | Relay (1.0) Calculated Property | |
| ΔfG° | -210.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -655.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.817 | Crippen Calculated Property | |
| McVol | 282.650 | ml/mol | McGowan Calculated Property |
| Pc | 1664.61 | kPa | Joback Calculated Property |
| Inp | [2708.00; 2708.00] |
|
|
| Inp | 2708.00 | NIST | |
| Inp | 2708.00 | NIST | |
| Tboil | 672.89 | K | Relay (1.0) Calculated Property |
| Tc | 942.72 | K | Relay (1.0) Calculated Property |
| Tfus | 337.62 | K | Relay (1.0) Calculated Property |
| Vc | 1.015 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [783.80; 822.46] | J/mol×K | [971.83; 1212.62] |
|
| Cp,gas | 783.80 | J/mol×K | 971.83 | Joback Calculated Property |
| Cp,gas | 793.47 | J/mol×K | 1011.96 | Joback Calculated Property |
| Cp,gas | 801.82 | J/mol×K | 1052.09 | Joback Calculated Property |
| Cp,gas | 808.87 | J/mol×K | 1092.22 | Joback Calculated Property |
| Cp,gas | 814.64 | J/mol×K | 1132.36 | Joback Calculated Property |
| Cp,gas | 819.16 | J/mol×K | 1172.49 | Joback Calculated Property |
| Cp,gas | 822.46 | J/mol×K | 1212.62 | Joback Calculated Property |
| η | [0.0000398; 0.0002528] | Pa×s | [625.89; 971.83] |
|
| η | 0.0002528 | Pa×s | 625.89 | Joback Calculated Property |
| η | 0.0001631 | Pa×s | 683.55 | Joback Calculated Property |
| η | 0.0001127 | Pa×s | 741.20 | Joback Calculated Property |
| η | 0.0000821 | Pa×s | 798.86 | Joback Calculated Property |
| η | 0.0000625 | Pa×s | 856.52 | Joback Calculated Property |
| η | 0.0000492 | Pa×s | 914.17 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 971.83 | Joback Calculated Property |
Similar Compounds
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Sources
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