- InChI
- InChI=1S/C14H12Cl4O4/c1-2-3-6-21-10(19)4-5-11(20)22-14-9(16)7-8(15)12(17)13(14)18/h4-5,7H,2-3,6H2,1H3/b5-4+
- InChI Key
- BPFAPIRCWGJTKJ-SNAWJCMRSA-N
- Formula
- C14H12Cl4O4
- SMILES
-
CCCCOC(=O)C=CC(=O)Oc1c(Cl)cc(C
l)c(Cl)c1Cl - Molecular Weight1
- 386.06
- 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° | -294.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -576.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.49 | kJ/mol | Joback Calculated Property |
| log10WS | -5.75 | Crippen Calculated Property | |
| logPoct/wat | 5.105 | Crippen Calculated Property | |
| McVol | 243.900 | ml/mol | McGowan Calculated Property |
| Pc | 1898.60 | kPa | Joback Calculated Property |
| Inp | [2498.00; 2498.00] |
|
|
| Inp | 2498.00 | NIST | |
| Inp | 2498.00 | NIST | |
| Tboil | 872.78 | K | Joback Calculated Property |
| Tc | 1100.74 | K | Joback Calculated Property |
| Tfus | 582.96 | K | Joback Calculated Property |
| Vc | 0.935 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.80; 643.53] | J/mol×K | [872.78; 1100.74] |
|
| Cp,gas | 600.80 | J/mol×K | 872.78 | Joback Calculated Property |
| Cp,gas | 610.09 | J/mol×K | 910.77 | Joback Calculated Property |
| Cp,gas | 618.50 | J/mol×K | 948.77 | Joback Calculated Property |
| Cp,gas | 626.03 | J/mol×K | 986.76 | Joback Calculated Property |
| Cp,gas | 632.71 | J/mol×K | 1024.75 | Joback Calculated Property |
| Cp,gas | 638.54 | J/mol×K | 1062.74 | Joback Calculated Property |
| Cp,gas | 643.53 | J/mol×K | 1100.74 | Joback Calculated Property |
| η | [0.0000648; 0.0003294] | Pa×s | [582.96; 872.78] |
|
| η | 0.0003294 | Pa×s | 582.96 | Joback Calculated Property |
| η | 0.0002264 | Pa×s | 631.26 | Joback Calculated Property |
| η | 0.0001642 | Pa×s | 679.57 | Joback Calculated Property |
| η | 0.0001242 | Pa×s | 727.87 | Joback Calculated Property |
| η | 0.0000973 | Pa×s | 776.17 | Joback Calculated Property |
| η | 0.0000785 | Pa×s | 824.48 | Joback Calculated Property |
| η | 0.0000648 | Pa×s | 872.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl 2,3,4,6-tetrachlorophenyl ester.
Sources
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