- InChI
- InChI=1S/C15H14Cl4O4/c1-2-3-4-7-22-11(20)5-6-12(21)23-15-13(18)9(16)8-10(17)14(15)19/h5-6,8H,2-4,7H2,1H3/b6-5+
- InChI Key
- SPGQBUMQGUSKMU-AATRIKPKSA-N
- Formula
- C15H14Cl4O4
- SMILES
-
CCCCCOC(=O)C=CC(=O)Oc1c(Cl)c(C
l)cc(Cl)c1Cl - Molecular Weight1
- 400.08
- 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 | 0.8805 | Relay (... Calculated Property | |
| ΔfG° | -286.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -706.42 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 49.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.17 | kJ/mol | Relay (... Calculated Property |
| IE | 9.11 | eV | Relay (... Calculated Property |
| log10WS | -6.98 | Relay (... Calculated Property | |
| logPoct/wat | 5.495 | Crippen Calculated Property | |
| McVol | 257.990 | ml/mol | McGowan Calculated Property |
| Pc | 1749.21 | kPa | Joback Calculated Property |
| Inp | 2593.00 | NIST | |
| Tboil | 619.54 | K | Relay (... Calculated Property |
| Tc | 888.88 | K | Relay (... Calculated Property |
| Tfus | 343.77 | K | Relay (... Calculated Property |
| Vc | 0.913 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.59; 699.95] | J/mol×K | [895.66; 1121.83] | 
|
| Cp,gas | 655.59 | J/mol×K | 895.66 | Joback Calculated Property |
| Cp,gas | 665.24 | J/mol×K | 933.36 | Joback Calculated Property |
| Cp,gas | 673.96 | J/mol×K | 971.05 | Joback Calculated Property |
| Cp,gas | 681.78 | J/mol×K | 1008.75 | Joback Calculated Property |
| Cp,gas | 688.71 | J/mol×K | 1046.44 | Joback Calculated Property |
| Cp,gas | 694.76 | J/mol×K | 1084.14 | Joback Calculated Property |
| Cp,gas | 699.95 | J/mol×K | 1121.83 | Joback Calculated Property |
| η | [0.0000562; 0.0002987] | Pa×s | [594.23; 895.66] |
|
| η | 0.0002987 | Pa×s | 594.23 | Joback Calculated Property |
| η | 0.0002029 | Pa×s | 644.47 | Joback Calculated Property |
| η | 0.0001457 | Pa×s | 694.71 | Joback Calculated Property |
| η | 0.0001094 | Pa×s | 744.95 | Joback Calculated Property |
| η | 0.0000852 | Pa×s | 795.18 | Joback Calculated Property |
| η | 0.0000684 | Pa×s | 845.42 | Joback Calculated Property |
| η | 0.0000562 | Pa×s | 895.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pentyl 2,3,5,6-tetrachlorophenyl ester.
Sources
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