- InChI
- InChI=1S/C19H15Cl3O4/c1-11(2)13-5-3-4-6-16(13)25-17(23)7-8-18(24)26-19-14(21)9-12(20)10-15(19)22/h3-11H,1-2H3/b8-7+
- InChI Key
- LNYOMCCTXRXPMO-BQYQJAHWSA-N
- Formula
- C19H15Cl3O4
- SMILES
-
CC(C)c1ccccc1OC(=O)C=CC(=O)Oc1
c(Cl)cc(Cl)cc1Cl - Molecular Weight1
- 413.68
- 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° | -130.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.12 | kJ/mol | Joback Calculated Property |
| log10WS | -6.84 | Crippen Calculated Property | |
| logPoct/wat | 5.837 | Crippen Calculated Property | |
| McVol | 278.350 | ml/mol | McGowan Calculated Property |
| Pc | 1737.56 | kPa | Joback Calculated Property |
| Inp | [2736.00; 2736.00] |
|
|
| Inp | 2736.00 | NIST | |
| Inp | 2736.00 | NIST | |
| Tboil | 975.99 | K | Joback Calculated Property |
| Tc | 1222.57 | K | Joback Calculated Property |
| Tfus | 620.81 | K | Joback Calculated Property |
| Vc | 1.052 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [754.45; 794.72] | J/mol×K | [975.99; 1222.57] |
|
| Cp,gas | 754.45 | J/mol×K | 975.99 | Joback Calculated Property |
| Cp,gas | 763.96 | J/mol×K | 1017.09 | Joback Calculated Property |
| Cp,gas | 772.28 | J/mol×K | 1058.18 | Joback Calculated Property |
| Cp,gas | 779.48 | J/mol×K | 1099.28 | Joback Calculated Property |
| Cp,gas | 785.58 | J/mol×K | 1140.38 | Joback Calculated Property |
| Cp,gas | 790.65 | J/mol×K | 1181.47 | Joback Calculated Property |
| Cp,gas | 794.72 | J/mol×K | 1222.57 | Joback Calculated Property |
| η | [0.0000350; 0.0002318] | Pa×s | [620.81; 975.99] |
|
| η | 0.0002318 | Pa×s | 620.81 | Joback Calculated Property |
| η | 0.0001474 | Pa×s | 680.01 | Joback Calculated Property |
| η | 0.0001008 | Pa×s | 739.20 | Joback Calculated Property |
| η | 0.0000730 | Pa×s | 798.40 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 857.60 | Joback Calculated Property |
| η | 0.0000433 | Pa×s | 916.79 | Joback Calculated Property |
| η | 0.0000350 | Pa×s | 975.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-isopropylphenyl 2,4,6-trichlorophenyl ester.
Sources
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