- InChI
- InChI=1S/C16H12Cl2O4/c17-14(18)10-21-15(19)8-9-16(20)22-13-7-3-5-11-4-1-2-6-12(11)13/h1-9,14H,10H2/b9-8+
- InChI Key
- FJKJSQYRSRXTKJ-CMDGGOBGSA-N
- Formula
- C16H12Cl2O4
- SMILES
-
O=C(C=CC(=O)Oc1cccc2ccccc12)OC
C(Cl)Cl - Molecular Weight1
- 339.17
- 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° | -120.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.44 | kJ/mol | Joback Calculated Property |
| log10WS | -4.89 | Crippen Calculated Property | |
| logPoct/wat | 3.648 | Crippen Calculated Property | |
| McVol | 228.140 | ml/mol | McGowan Calculated Property |
| Pc | 2235.52 | kPa | Joback Calculated Property |
| Inp | [2559.00; 2559.00] |
|
|
| Inp | 2559.00 | NIST | |
| Inp | 2559.00 | NIST | |
| Tboil | 847.28 | K | Joback Calculated Property |
| Tc | 1085.54 | K | Joback Calculated Property |
| Tfus | 525.80 | K | Joback Calculated Property |
| Vc | 0.866 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [597.34; 649.70] | J/mol×K | [847.28; 1085.54] |
|
| Cp,gas | 597.34 | J/mol×K | 847.28 | Joback Calculated Property |
| Cp,gas | 608.10 | J/mol×K | 886.99 | Joback Calculated Property |
| Cp,gas | 617.94 | J/mol×K | 926.70 | Joback Calculated Property |
| Cp,gas | 626.95 | J/mol×K | 966.41 | Joback Calculated Property |
| Cp,gas | 635.20 | J/mol×K | 1006.12 | Joback Calculated Property |
| Cp,gas | 642.75 | J/mol×K | 1045.83 | Joback Calculated Property |
| Cp,gas | 649.70 | J/mol×K | 1085.54 | Joback Calculated Property |
| η | [0.0001131; 0.0007359] | Pa×s | [525.80; 847.28] |
|
| η | 0.0007359 | Pa×s | 525.80 | Joback Calculated Property |
| η | 0.0004662 | Pa×s | 579.38 | Joback Calculated Property |
| η | 0.0003191 | Pa×s | 632.96 | Joback Calculated Property |
| η | 0.0002317 | Pa×s | 686.54 | Joback Calculated Property |
| η | 0.0001763 | Pa×s | 740.12 | Joback Calculated Property |
| η | 0.0001391 | Pa×s | 793.70 | Joback Calculated Property |
| η | 0.0001131 | Pa×s | 847.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, naphth-1-yl 2,2-dichloroethyl ester.
Sources
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