- InChI
- InChI=1S/C16H18Cl2O4/c1-4-13(10(2)3)21-15(19)7-8-16(20)22-14-6-5-11(17)9-12(14)18/h5-10,13H,4H2,1-3H3/b8-7+
- InChI Key
- ZFVXWTUROXLRKB-BQYQJAHWSA-N
- Formula
- C16H18Cl2O4
- SMILES
-
CCC(OC(=O)C=CC(=O)Oc1ccc(Cl)cc
1Cl)C(C)C - Molecular Weight1
- 345.22
- 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° | -239.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -574.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.07 | kJ/mol | Joback Calculated Property |
| log10WS | -5.09 | Crippen Calculated Property | |
| logPoct/wat | 4.433 | Crippen Calculated Property | |
| McVol | 247.600 | ml/mol | McGowan Calculated Property |
| Pc | 1784.86 | kPa | Joback Calculated Property |
| Inp | [2247.00; 2247.00] |
|
|
| Inp | 2247.00 | NIST | |
| Inp | 2247.00 | NIST | |
| Tboil | 832.84 | K | Joback Calculated Property |
| Tc | 1054.61 | K | Joback Calculated Property |
| Tfus | 490.62 | K | Joback Calculated Property |
| Vc | 0.938 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [673.33; 733.98] | J/mol×K | [832.84; 1054.61] |
|
| Cp,gas | 673.33 | J/mol×K | 832.84 | Joback Calculated Property |
| Cp,gas | 685.92 | J/mol×K | 869.80 | Joback Calculated Property |
| Cp,gas | 697.48 | J/mol×K | 906.76 | Joback Calculated Property |
| Cp,gas | 708.03 | J/mol×K | 943.73 | Joback Calculated Property |
| Cp,gas | 717.62 | J/mol×K | 980.69 | Joback Calculated Property |
| Cp,gas | 726.26 | J/mol×K | 1017.65 | Joback Calculated Property |
| Cp,gas | 733.98 | J/mol×K | 1054.61 | Joback Calculated Property |
| η | [0.0000534; 0.0005957] | Pa×s | [490.62; 832.84] |
|
| η | 0.0005957 | Pa×s | 490.62 | Joback Calculated Property |
| η | 0.0003233 | Pa×s | 547.66 | Joback Calculated Property |
| η | 0.0001969 | Pa×s | 604.69 | Joback Calculated Property |
| η | 0.0001306 | Pa×s | 661.73 | Joback Calculated Property |
| η | 0.0000925 | Pa×s | 718.77 | Joback Calculated Property |
| η | 0.0000689 | Pa×s | 775.80 | Joback Calculated Property |
| η | 0.0000534 | Pa×s | 832.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4-dichlorophenyl 2-methylpent-3-yl ester.
Sources
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