- InChI
- InChI=1S/C15H16Cl2O5/c1-10(2)21-11-5-3-4-6-12(11)22-15(19)8-7-14(18)20-9-13(16)17/h3-8,10,13H,9H2,1-2H3/b8-7+
- InChI Key
- SIPTYGJDQSDZJZ-BQYQJAHWSA-N
- Formula
- C15H16Cl2O5
- SMILES
-
CC(C)Oc1ccccc1OC(=O)C=CC(=O)OC
C(Cl)Cl - Molecular Weight1
- 347.19
- 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° | -343.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -674.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.60 | kJ/mol | Joback Calculated Property |
| log10WS | -4.16 | Crippen Calculated Property | |
| logPoct/wat | 3.282 | Crippen Calculated Property | |
| McVol | 239.380 | ml/mol | McGowan Calculated Property |
| Pc | 1935.54 | kPa | Joback Calculated Property |
| Inp | [2226.00; 2226.00] |
|
|
| Inp | 2226.00 | NIST | |
| Inp | 2226.00 | NIST | |
| Tboil | 827.40 | K | Joback Calculated Property |
| Tc | 1049.22 | K | Joback Calculated Property |
| Tfus | 489.06 | K | Joback Calculated Property |
| Vc | 0.899 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [645.48; 701.45] | J/mol×K | [827.40; 1049.22] |
|
| Cp,gas | 645.48 | J/mol×K | 827.40 | Joback Calculated Property |
| Cp,gas | 657.41 | J/mol×K | 864.37 | Joback Calculated Property |
| Cp,gas | 668.27 | J/mol×K | 901.34 | Joback Calculated Property |
| Cp,gas | 678.10 | J/mol×K | 938.31 | Joback Calculated Property |
| Cp,gas | 686.89 | J/mol×K | 975.28 | Joback Calculated Property |
| Cp,gas | 694.67 | J/mol×K | 1012.25 | Joback Calculated Property |
| Cp,gas | 701.45 | J/mol×K | 1049.22 | Joback Calculated Property |
| η | [0.0000457; 0.0005419] | Pa×s | [489.06; 827.40] |
|
| η | 0.0005419 | Pa×s | 489.06 | Joback Calculated Property |
| η | 0.0002900 | Pa×s | 545.45 | Joback Calculated Property |
| η | 0.0001744 | Pa×s | 601.84 | Joback Calculated Property |
| η | 0.0001145 | Pa×s | 658.23 | Joback Calculated Property |
| η | 0.0000803 | Pa×s | 714.62 | Joback Calculated Property |
| η | 0.0000593 | Pa×s | 771.01 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 827.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-isopropoxyphenyl 2,2-dichloroethyl ester.
Sources
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