- InChI
- InChI=1S/C14H11Cl5O4/c1-6(2)5-22-7(20)3-4-8(21)23-14-12(18)10(16)9(15)11(17)13(14)19/h3-4,6H,5H2,1-2H3/b4-3+
- InChI Key
- RRORQPBYPGTCSN-ONEGZZNKSA-N
- Formula
- C14H11Cl5O4
- SMILES
-
CC(C)COC(=O)C=CC(=O)Oc1c(Cl)c(
Cl)c(Cl)c(Cl)c1Cl - Molecular Weight1
- 420.50
- 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° | -318.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -609.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.15 | kJ/mol | Joback Calculated Property |
| log10WS | -6.20 | Crippen Calculated Property | |
| logPoct/wat | 5.614 | Crippen Calculated Property | |
| McVol | 256.140 | ml/mol | McGowan Calculated Property |
| Pc | 1827.85 | kPa | Joback Calculated Property |
| Inp | [2649.00; 2649.00] |
|
|
| Inp | 2649.00 | NIST | |
| Inp | 2649.00 | NIST | |
| Tboil | 914.75 | K | Joback Calculated Property |
| Tc | 1149.63 | K | Joback Calculated Property |
| Tfus | 610.40 | K | Joback Calculated Property |
| Vc | 0.979 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [617.52; 652.98] | J/mol×K | [914.75; 1149.63] |
|
| Cp,gas | 617.52 | J/mol×K | 914.75 | Joback Calculated Property |
| Cp,gas | 625.74 | J/mol×K | 953.90 | Joback Calculated Property |
| Cp,gas | 633.02 | J/mol×K | 993.04 | Joback Calculated Property |
| Cp,gas | 639.38 | J/mol×K | 1032.19 | Joback Calculated Property |
| Cp,gas | 644.82 | J/mol×K | 1071.33 | Joback Calculated Property |
| Cp,gas | 649.35 | J/mol×K | 1110.48 | Joback Calculated Property |
| Cp,gas | 652.98 | J/mol×K | 1149.63 | Joback Calculated Property |
| η | [0.0000517; 0.0002670] | Pa×s | [610.40; 914.75] |
|
| η | 0.0002670 | Pa×s | 610.40 | Joback Calculated Property |
| η | 0.0001828 | Pa×s | 661.13 | Joback Calculated Property |
| η | 0.0001321 | Pa×s | 711.85 | Joback Calculated Property |
| η | 0.0000997 | Pa×s | 762.58 | Joback Calculated Property |
| η | 0.0000779 | Pa×s | 813.30 | Joback Calculated Property |
| η | 0.0000627 | Pa×s | 864.03 | Joback Calculated Property |
| η | 0.0000517 | Pa×s | 914.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isobutyl pentachlorophenyl ester.
Sources
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