- InChI
- InChI=1S/C13H12Cl2O4/c1-2-5-18-12(16)3-4-13(17)19-11-7-9(14)6-10(15)8-11/h3-4,6-8H,2,5H2,1H3/b4-3+
- InChI Key
- GQDYWAPQBXUEDV-ONEGZZNKSA-N
- Formula
- C13H12Cl2O4
- SMILES
-
CCCOC(=O)C=CC(=O)Oc1cc(Cl)cc(C
l)c1 - Molecular Weight1
- 303.14
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7477 | Relay (1.0) Calculated Property | |
| ΔfG° | -259.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -655.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.408 | Crippen Calculated Property | |
| McVol | 205.330 | ml/mol | McGowan Calculated Property |
| Pc | 2278.41 | kPa | Joback Calculated Property |
| Inp | [2100.00; 2100.00] |
|
|
| Inp | 2100.00 | NIST | |
| Inp | 2100.00 | NIST | |
| Tboil | 587.87 | K | Relay (1.0) Calculated Property |
| Tc | 805.23 | K | Relay (1.0) Calculated Property |
| Tfus | 323.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.724 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [510.22; 564.37] | J/mol×K | [765.08; 988.37] |
|
| Cp,gas | 510.22 | J/mol×K | 765.08 | Joback Calculated Property |
| Cp,gas | 521.32 | J/mol×K | 802.30 | Joback Calculated Property |
| Cp,gas | 531.57 | J/mol×K | 839.51 | Joback Calculated Property |
| Cp,gas | 540.98 | J/mol×K | 876.73 | Joback Calculated Property |
| Cp,gas | 549.58 | J/mol×K | 913.94 | Joback Calculated Property |
| Cp,gas | 557.37 | J/mol×K | 951.16 | Joback Calculated Property |
| Cp,gas | 564.37 | J/mol×K | 988.37 | Joback Calculated Property |
| η | [0.0000948; 0.0006233] | Pa×s | [486.81; 765.08] |
|
| η | 0.0006233 | Pa×s | 486.81 | Joback Calculated Property |
| η | 0.0003973 | Pa×s | 533.19 | Joback Calculated Property |
| η | 0.0002721 | Pa×s | 579.57 | Joback Calculated Property |
| η | 0.0001972 | Pa×s | 625.95 | Joback Calculated Property |
| η | 0.0001493 | Pa×s | 672.32 | Joback Calculated Property |
| η | 0.0001172 | Pa×s | 718.70 | Joback Calculated Property |
| η | 0.0000948 | Pa×s | 765.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,5-dichlorophenyl propyl ester.
Sources
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