- InChI
- InChI=1S/C16H6Cl6O4/c17-7-1-3-9(19)15(13(7)21)25-11(23)5-6-12(24)26-16-10(20)4-2-8(18)14(16)22/h1-6H/b6-5+
- InChI Key
- LGRPINVRSGDPDU-AATRIKPKSA-N
- Formula
- C16H6Cl6O4
- SMILES
-
O=C(C=CC(=O)Oc1c(Cl)ccc(Cl)c1C
l)Oc1c(Cl)ccc(Cl)c1Cl - Molecular Weight1
- 474.93
- 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° | -208.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -436.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.31 | kJ/mol | Joback Calculated Property |
| log10WS | -7.71 | Crippen Calculated Property | |
| logPoct/wat | 6.674 | Crippen Calculated Property | |
| McVol | 272.800 | ml/mol | McGowan Calculated Property |
| Pc | 1957.87 | kPa | Joback Calculated Property |
| Inp | [3288.00; 3288.00] |
|
|
| Inp | 3288.00 | NIST | |
| Inp | 3288.00 | NIST | |
| Tboil | 1030.04 | K | Joback Calculated Property |
| Tc | 1290.67 | K | Joback Calculated Property |
| Tfus | 716.80 | K | Joback Calculated Property |
| Vc | 1.038 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [627.63; 642.23] | J/mol×K | [1030.04; 1290.67] |
|
| Cp,gas | 627.63 | J/mol×K | 1030.04 | Joback Calculated Property |
| Cp,gas | 632.60 | J/mol×K | 1073.48 | Joback Calculated Property |
| Cp,gas | 636.51 | J/mol×K | 1116.92 | Joback Calculated Property |
| Cp,gas | 639.40 | J/mol×K | 1160.36 | Joback Calculated Property |
| Cp,gas | 641.30 | J/mol×K | 1203.79 | Joback Calculated Property |
| Cp,gas | 642.23 | J/mol×K | 1247.23 | Joback Calculated Property |
| Cp,gas | 642.22 | J/mol×K | 1290.67 | Joback Calculated Property |
| η | [0.0000383; 0.0001564] | Pa×s | [716.80; 1030.04] |
|
| η | 0.0001564 | Pa×s | 716.80 | Joback Calculated Property |
| η | 0.0001142 | Pa×s | 769.01 | Joback Calculated Property |
| η | 0.0000868 | Pa×s | 821.21 | Joback Calculated Property |
| η | 0.0000682 | Pa×s | 873.42 | Joback Calculated Property |
| η | 0.0000550 | Pa×s | 925.63 | Joback Calculated Property |
| η | 0.0000455 | Pa×s | 977.83 | Joback Calculated Property |
| η | 0.0000383 | Pa×s | 1030.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, di(2,3,6-trichlorophenyl) ester.
Sources
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