- InChI
- InChI=1S/C21H14Cl2O4/c22-17-6-3-7-18(23)21(17)27-20(25)11-10-19(24)26-13-14-8-9-15-4-1-2-5-16(15)12-14/h1-12H,13H2/b11-10+
- InChI Key
- CFXNDCCIFYYYCM-ZHACJKMWSA-N
- Formula
- C21H14Cl2O4
- SMILES
-
O=C(C=CC(=O)Oc1c(Cl)cccc1Cl)OC
c1ccc2ccccc2c1 - Molecular Weight1
- 401.24
- 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° | 17.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -250.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.56 | kJ/mol | Joback Calculated Property |
| log10WS | -7.04 | Crippen Calculated Property | |
| logPoct/wat | 5.352 | Crippen Calculated Property | |
| McVol | 274.830 | ml/mol | McGowan Calculated Property |
| Pc | 1887.08 | kPa | Joback Calculated Property |
| Inp | [3140.00; 3140.00] |
|
|
| Inp | 3140.00 | NIST | |
| Inp | 3140.00 | NIST | |
| Tboil | 998.76 | K | Joback Calculated Property |
| Tc | 1252.56 | K | Joback Calculated Property |
| Tfus | 648.61 | K | Joback Calculated Property |
| Vc | 1.044 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [766.47; 815.27] | J/mol×K | [998.76; 1252.56] |
|
| Cp,gas | 766.47 | J/mol×K | 998.76 | Joback Calculated Property |
| Cp,gas | 776.50 | J/mol×K | 1041.06 | Joback Calculated Property |
| Cp,gas | 785.63 | J/mol×K | 1083.36 | Joback Calculated Property |
| Cp,gas | 793.96 | J/mol×K | 1125.66 | Joback Calculated Property |
| Cp,gas | 801.61 | J/mol×K | 1167.96 | Joback Calculated Property |
| Cp,gas | 808.68 | J/mol×K | 1210.26 | Joback Calculated Property |
| Cp,gas | 815.27 | J/mol×K | 1252.56 | Joback Calculated Property |
| η | [0.0000694; 0.0003433] | Pa×s | [648.61; 998.76] |
|
| η | 0.0003433 | Pa×s | 648.61 | Joback Calculated Property |
| η | 0.0002356 | Pa×s | 706.97 | Joback Calculated Property |
| η | 0.0001712 | Pa×s | 765.33 | Joback Calculated Property |
| η | 0.0001302 | Pa×s | 823.68 | Joback Calculated Property |
| η | 0.0001027 | Pa×s | 882.04 | Joback Calculated Property |
| η | 0.0000834 | Pa×s | 940.40 | Joback Calculated Property |
| η | 0.0000694 | Pa×s | 998.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,6-dichlorophenyl naphth-2-ylmethyl ester.
Sources
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