- InChI
- InChI=1S/C14H14Cl2O4/c1-2-3-6-19-13(17)4-5-14(18)20-12-8-10(15)7-11(16)9-12/h4-5,7-9H,2-3,6H2,1H3/b5-4+
- InChI Key
- OWQDNEANEOIMEX-SNAWJCMRSA-N
- Formula
- C14H14Cl2O4
- SMILES
-
CCCCOC(=O)C=CC(=O)Oc1cc(Cl)cc(
Cl)c1 - Molecular Weight1
- 317.17
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -673.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.40 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.798 | Crippen Calculated Property | |
| McVol | 219.420 | ml/mol | McGowan Calculated Property |
| Pc | 1935.54 | kPa | Joback Calculated Property |
| Inp | [2201.00; 2201.00] |
|
|
| Inp | 2201.00 | NIST | |
| Inp | 2201.00 | NIST | |
| Tboil | 594.19 | K | Relay (1.0) Calculated Property |
| Tc | 817.90 | K | Relay (1.0) Calculated Property |
| Tfus | 305.28 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [295.80; 619.17] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.72730e+01 | |||
| Coefficient B | 1.05992e+00 | |||
| Coefficient C | -5.70320e-04 | |||
| Coefficient D | 8.23000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 295.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 354.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 406.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 453.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 493.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 528.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 558.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 583.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 603.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 619.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008168; 0.0000958] | Pa×s | [438.42; 678.08] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.31726e+01 | |||
| Coefficient B | 2.65790e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 438.42 | |||
| Temperature range, max. | 678.08 | |||
| η | 0.0008168 | Pa×s | 438.42 | Calculated Property |
| η | 0.0005772 | Pa×s | 465.05 | Calculated Property |
| η | 0.0004236 | Pa×s | 491.68 | Calculated Property |
| η | 0.0003208 | Pa×s | 518.31 | Calculated Property |
| η | 0.0002497 | Pa×s | 544.94 | Calculated Property |
| η | 0.0001990 | Pa×s | 571.57 | Calculated Property |
| η | 0.0001618 | Pa×s | 598.20 | Calculated Property |
| η | 0.0001339 | Pa×s | 624.83 | Calculated Property |
| η | 0.0001125 | Pa×s | 651.46 | Calculated Property |
| η | 0.0000958 | Pa×s | 678.08 | Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl 3,5-dichlorophenyl ester.
Sources
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