- InChI
- InChI=1S/C18H22Cl2O4/c19-13-5-3-1-2-4-6-14-23-17(21)11-12-18(22)24-16-9-7-15(20)8-10-16/h7-12H,1-6,13-14H2/b12-11+
- InChI Key
- KOKFVOREEYHZOP-VAWYXSNFSA-N
- Formula
- C18H22Cl2O4
- SMILES
-
O=C(C=CC(=O)Oc1ccc(Cl)cc1)OCCC
CCCCCCl - Molecular Weight1
- 373.27
- 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° | -208.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -593.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.64 | kJ/mol | Joback Calculated Property |
| log10WS | -5.53 | Crippen Calculated Property | |
| logPoct/wat | 4.924 | Crippen Calculated Property | |
| McVol | 275.780 | ml/mol | McGowan Calculated Property |
| Pc | 1525.88 | kPa | Joback Calculated Property |
| Inp | [2811.00; 2811.00] |
|
|
| Inp | 2811.00 | NIST | |
| Inp | 2811.00 | NIST | |
| Tboil | 874.50 | K | Joback Calculated Property |
| Tc | 1087.79 | K | Joback Calculated Property |
| Tfus | 530.64 | K | Joback Calculated Property |
| Vc | 1.062 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [786.17; 849.39] | J/mol×K | [874.50; 1087.79] |
|
| Cp,gas | 786.17 | J/mol×K | 874.50 | Joback Calculated Property |
| Cp,gas | 799.10 | J/mol×K | 910.05 | Joback Calculated Property |
| Cp,gas | 811.02 | J/mol×K | 945.60 | Joback Calculated Property |
| Cp,gas | 821.97 | J/mol×K | 981.14 | Joback Calculated Property |
| Cp,gas | 831.99 | J/mol×K | 1016.69 | Joback Calculated Property |
| Cp,gas | 841.12 | J/mol×K | 1052.24 | Joback Calculated Property |
| Cp,gas | 849.39 | J/mol×K | 1087.79 | Joback Calculated Property |
| η | [0.0000472; 0.0004505] | Pa×s | [530.64; 874.50] |
|
| η | 0.0004505 | Pa×s | 530.64 | Joback Calculated Property |
| η | 0.0002576 | Pa×s | 587.95 | Joback Calculated Property |
| η | 0.0001627 | Pa×s | 645.26 | Joback Calculated Property |
| η | 0.0001107 | Pa×s | 702.57 | Joback Calculated Property |
| η | 0.0000799 | Pa×s | 759.88 | Joback Calculated Property |
| η | 0.0000603 | Pa×s | 817.19 | Joback Calculated Property |
| η | 0.0000472 | Pa×s | 874.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-chlorophenyl 8-chlorooctyl ester.
Sources
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