- InChI
- InChI=1S/C13H9Cl5O4/c1-2-5-21-6(19)3-4-7(20)22-13-11(17)9(15)8(14)10(16)12(13)18/h3-4H,2,5H2,1H3/b4-3+
- InChI Key
- SZMBLVSWIKXQFX-ONEGZZNKSA-N
- Formula
- C13H9Cl5O4
- SMILES
-
CCCOC(=O)C=CC(=O)Oc1c(Cl)c(Cl)
c(Cl)c(Cl)c1Cl - Molecular Weight1
- 406.47
- 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° | -324.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -583.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.31 | kJ/mol | Joback Calculated Property |
| log10WS | -6.02 | Crippen Calculated Property | |
| logPoct/wat | 5.368 | Crippen Calculated Property | |
| McVol | 242.050 | ml/mol | McGowan Calculated Property |
| Pc | 1973.55 | kPa | Joback Calculated Property |
| Inp | 2589.00 | NIST | |
| Tboil | 892.31 | K | Joback Calculated Property |
| Tc | 1126.39 | K | Joback Calculated Property |
| Tfus | 614.13 | K | Joback Calculated Property |
| Vc | 0.928 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [562.69; 596.64] | J/mol×K | [892.31; 1126.39] | 
|
| Cp,gas | 562.69 | J/mol×K | 892.31 | Joback Calculated Property |
| Cp,gas | 570.47 | J/mol×K | 931.32 | Joback Calculated Property |
| Cp,gas | 577.39 | J/mol×K | 970.34 | Joback Calculated Property |
| Cp,gas | 583.47 | J/mol×K | 1009.35 | Joback Calculated Property |
| Cp,gas | 588.70 | J/mol×K | 1048.36 | Joback Calculated Property |
| Cp,gas | 593.09 | J/mol×K | 1087.37 | Joback Calculated Property |
| Cp,gas | 596.64 | J/mol×K | 1126.39 | Joback Calculated Property |
| η | [0.0000653; 0.0002818] | Pa×s | [614.13; 892.31] |
|
| η | 0.0002818 | Pa×s | 614.13 | Joback Calculated Property |
| η | 0.0002028 | Pa×s | 660.49 | Joback Calculated Property |
| η | 0.0001523 | Pa×s | 706.86 | Joback Calculated Property |
| η | 0.0001185 | Pa×s | 753.22 | Joback Calculated Property |
| η | 0.0000949 | Pa×s | 799.58 | Joback Calculated Property |
| η | 0.0000779 | Pa×s | 845.95 | Joback Calculated Property |
| η | 0.0000653 | Pa×s | 892.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pentachlorophenyl propyl ester.
Sources
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