- InChI
- InChI=1S/C18H14Cl4O4/c19-13-3-1-11(15(21)7-13)9-25-17(23)5-6-18(24)26-10-12-2-4-14(20)8-16(12)22/h1-4,7-8H,5-6,9-10H2
- InChI Key
- VBOPUIURWHMRKV-UHFFFAOYSA-N
- Formula
- C18H14Cl4O4
- SMILES
-
O=C(CCC(=O)OCc1ccc(Cl)cc1Cl)OC
c1ccc(Cl)cc1Cl - Molecular Weight1
- 436.11
- 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° | -228.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -540.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.71 | kJ/mol | Joback Calculated Property |
| log10WS | -7.02 | Crippen Calculated Property | |
| logPoct/wat | 5.867 | Crippen Calculated Property | |
| McVol | 280.800 | ml/mol | McGowan Calculated Property |
| Pc | 1736.11 | kPa | Joback Calculated Property |
| Inp | [3097.00; 3097.00] |
|
|
| Inp | 3097.00 | NIST | |
| Inp | 3097.00 | NIST | |
| Tboil | 986.82 | K | Joback Calculated Property |
| Tc | 1229.94 | K | Joback Calculated Property |
| Tfus | 659.54 | K | Joback Calculated Property |
| Vc | 1.071 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [744.08; 775.01] | J/mol×K | [986.82; 1229.94] |
|
| Cp,gas | 744.08 | J/mol×K | 986.82 | Joback Calculated Property |
| Cp,gas | 752.26 | J/mol×K | 1027.34 | Joback Calculated Property |
| Cp,gas | 759.19 | J/mol×K | 1067.86 | Joback Calculated Property |
| Cp,gas | 764.91 | J/mol×K | 1108.38 | Joback Calculated Property |
| Cp,gas | 769.44 | J/mol×K | 1148.90 | Joback Calculated Property |
| Cp,gas | 772.80 | J/mol×K | 1189.42 | Joback Calculated Property |
| Cp,gas | 775.01 | J/mol×K | 1229.94 | Joback Calculated Property |
| η | [0.0000430; 0.0002246] | Pa×s | [659.54; 986.82] |
|
| η | 0.0002246 | Pa×s | 659.54 | Joback Calculated Property |
| η | 0.0001534 | Pa×s | 714.09 | Joback Calculated Property |
| η | 0.0001107 | Pa×s | 768.63 | Joback Calculated Property |
| η | 0.0000833 | Pa×s | 823.18 | Joback Calculated Property |
| η | 0.0000650 | Pa×s | 877.73 | Joback Calculated Property |
| η | 0.0000522 | Pa×s | 932.27 | Joback Calculated Property |
| η | 0.0000430 | Pa×s | 986.82 | Joback Calculated Property |
Similar Compounds
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Sources
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