- InChI
- InChI=1S/C18H13Cl5O4/c1-2-3-7-26-17(24)9-5-4-6-10(8-9)18(25)27-16-14(22)12(20)11(19)13(21)15(16)23/h4-6,8H,2-3,7H2,1H3
- InChI Key
- YHXRPAPWRHPVTM-UHFFFAOYSA-N
- Formula
- C18H13Cl5O4
- SMILES
-
CCCCOC(=O)c1cccc(C(=O)Oc2c(Cl)
c(Cl)c(Cl)c(Cl)c2Cl)c1 - Molecular Weight1
- 470.56
- 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° | -259.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -578.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.42 | kJ/mol | Joback Calculated Property |
| log10WS | -8.48 | Crippen Calculated Property | |
| logPoct/wat | 7.130 | Crippen Calculated Property | |
| McVol | 293.040 | ml/mol | McGowan Calculated Property |
| Pc | 1643.09 | kPa | Joback Calculated Property |
| Inp | 3220.00 | NIST | |
| Tboil | 1034.21 | K | Joback Calculated Property |
| Tc | 1282.63 | K | Joback Calculated Property |
| Tfus | 714.50 | K | Joback Calculated Property |
| Vc | 1.121 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [755.45; 774.80] | J/mol×K | [1034.21; 1282.63] | 
|
| Cp,gas | 755.45 | J/mol×K | 1034.21 | Joback Calculated Property |
| Cp,gas | 761.96 | J/mol×K | 1075.61 | Joback Calculated Property |
| Cp,gas | 767.14 | J/mol×K | 1117.02 | Joback Calculated Property |
| Cp,gas | 771.00 | J/mol×K | 1158.42 | Joback Calculated Property |
| Cp,gas | 773.55 | J/mol×K | 1199.82 | Joback Calculated Property |
| Cp,gas | 774.80 | J/mol×K | 1241.23 | Joback Calculated Property |
| Cp,gas | 774.76 | J/mol×K | 1282.63 | Joback Calculated Property |
| η | [0.0000382; 0.0001635] | Pa×s | [714.50; 1034.21] |
|
| η | 0.0001635 | Pa×s | 714.50 | Joback Calculated Property |
| η | 0.0001180 | Pa×s | 767.78 | Joback Calculated Property |
| η | 0.0000888 | Pa×s | 821.07 | Joback Calculated Property |
| η | 0.0000692 | Pa×s | 874.36 | Joback Calculated Property |
| η | 0.0000555 | Pa×s | 927.64 | Joback Calculated Property |
| η | 0.0000456 | Pa×s | 980.92 | Joback Calculated Property |
| η | 0.0000382 | Pa×s | 1034.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl pentachlorophenyl ester.
Sources
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