- InChI
- InChI=1S/C15H16Cl2O4/c16-13(17)11-21-15(19)9-8-14(18)20-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2/b9-8+
- InChI Key
- ZEOSAQHXBMFYTC-CMDGGOBGSA-N
- Formula
- C15H16Cl2O4
- SMILES
-
O=C(C=CC(=O)OCC(Cl)Cl)OCCCc1cc
ccc1 - Molecular Weight1
- 331.19
- 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° | -226.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -525.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.70 | Crippen Calculated Property | |
| logPoct/wat | 3.066 | Crippen Calculated Property | |
| McVol | 233.510 | ml/mol | McGowan Calculated Property |
| Pc | 1977.07 | kPa | Joback Calculated Property |
| Inp | [2319.00; 2319.00] |
|
|
| Inp | 2319.00 | NIST | |
| Inp | 2319.00 | NIST | |
| Tboil | 800.44 | K | Joback Calculated Property |
| Tc | 1019.88 | K | Joback Calculated Property |
| Tfus | 469.31 | K | Joback Calculated Property |
| Vc | 0.887 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [620.56; 680.33] | J/mol×K | [800.44; 1019.88] |
|
| Cp,gas | 620.56 | J/mol×K | 800.44 | Joback Calculated Property |
| Cp,gas | 632.83 | J/mol×K | 837.01 | Joback Calculated Property |
| Cp,gas | 644.14 | J/mol×K | 873.59 | Joback Calculated Property |
| Cp,gas | 654.50 | J/mol×K | 910.16 | Joback Calculated Property |
| Cp,gas | 663.96 | J/mol×K | 946.73 | Joback Calculated Property |
| Cp,gas | 672.56 | J/mol×K | 983.31 | Joback Calculated Property |
| Cp,gas | 680.33 | J/mol×K | 1019.88 | Joback Calculated Property |
| η | [0.0000657; 0.0008099] | Pa×s | [469.31; 800.44] |
|
| η | 0.0008099 | Pa×s | 469.31 | Joback Calculated Property |
| η | 0.0004275 | Pa×s | 524.50 | Joback Calculated Property |
| η | 0.0002549 | Pa×s | 579.69 | Joback Calculated Property |
| η | 0.0001663 | Pa×s | 634.88 | Joback Calculated Property |
| η | 0.0001161 | Pa×s | 690.06 | Joback Calculated Property |
| η | 0.0000855 | Pa×s | 745.25 | Joback Calculated Property |
| η | 0.0000657 | Pa×s | 800.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-phenylpropyl 2,2-dichloroethyl ester.
Sources
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