- InChI
- InChI=1S/C15H16Cl2O4/c1-2-3-4-7-20-14(18)5-6-15(19)21-13-9-11(16)8-12(17)10-13/h5-6,8-10H,2-4,7H2,1H3/b6-5+
- InChI Key
- RXVXYTPKGNCKMZ-AATRIKPKSA-N
- Formula
- C15H16Cl2O4
- SMILES
-
CCCCCOC(=O)C=CC(=O)Oc1cc(Cl)cc
(Cl)c1 - Molecular Weight1
- 331.19
- 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 | -693.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.05 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.188 | Crippen Calculated Property | |
| McVol | 233.510 | ml/mol | McGowan Calculated Property |
| Pc | 1781.84 | kPa | Joback Calculated Property |
| Inp | [2313.00; 2313.00] |
|
|
| Inp | 2313.00 | NIST | |
| Inp | 2313.00 | NIST | |
| Tboil | 601.84 | K | Relay (1.0) Calculated Property |
| Tc | 829.78 | K | Relay (1.0) Calculated Property |
| Tfus | 306.29 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [610.02; 668.64] | J/mol×K | [774.90; 988.93] |
|
| Cp,gas | 610.02 | J/mol×K | 774.90 | Joback Calculated Property |
| Cp,gas | 622.22 | J/mol×K | 810.57 | Joback Calculated Property |
| Cp,gas | 633.42 | J/mol×K | 846.24 | Joback Calculated Property |
| Cp,gas | 643.63 | J/mol×K | 881.92 | Joback Calculated Property |
| Cp,gas | 652.89 | J/mol×K | 917.59 | Joback Calculated Property |
| Cp,gas | 661.22 | J/mol×K | 953.26 | Joback Calculated Property |
| Cp,gas | 668.64 | J/mol×K | 988.93 | Joback Calculated Property |
| η | [0.0000568; 0.0007403] | Pa×s | [449.69; 774.90] |
|
| η | 0.0007403 | Pa×s | 449.69 | Joback Calculated Property |
| η | 0.0003833 | Pa×s | 503.89 | Joback Calculated Property |
| η | 0.0002255 | Pa×s | 558.09 | Joback Calculated Property |
| η | 0.0001457 | Pa×s | 612.29 | Joback Calculated Property |
| η | 0.0001011 | Pa×s | 666.50 | Joback Calculated Property |
| η | 0.0000741 | Pa×s | 720.70 | Joback Calculated Property |
| η | 0.0000568 | Pa×s | 774.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,5-dichlorophenyl pentyl ester.
Sources
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