- InChI
- InChI=1S/C20H17Cl5O4/c1-10(2)5-4-8-28-19(26)11-6-3-7-12(9-11)20(27)29-18-16(24)14(22)13(21)15(23)17(18)25/h3,6-7,9-10H,4-5,8H2,1-2H3
- InChI Key
- VNSVEQGJUAHDPB-UHFFFAOYSA-N
- Formula
- C20H17Cl5O4
- SMILES
-
CC(C)CCCOC(=O)c1cccc(C(=O)Oc2c
(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 - Molecular Weight1
- 498.61
- 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° | -245.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -625.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.49 | kJ/mol | Joback Calculated Property |
| log10WS | -9.08 | Crippen Calculated Property | |
| logPoct/wat | 7.766 | Crippen Calculated Property | |
| McVol | 321.220 | ml/mol | McGowan Calculated Property |
| Pc | 1422.92 | kPa | Joback Calculated Property |
| Inp | [3380.00; 3380.00] |
|
|
| Inp | 3380.00 | NIST | |
| Inp | 3380.00 | NIST | |
| Tboil | 1079.53 | K | Joback Calculated Property |
| Tc | 1330.07 | K | Joback Calculated Property |
| Tfus | 722.04 | K | Joback Calculated Property |
| Vc | 1.226 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [869.29; 887.49] | J/mol×K | [1079.53; 1330.07] |
|
| Cp,gas | 869.29 | J/mol×K | 1079.53 | Joback Calculated Property |
| Cp,gas | 875.81 | J/mol×K | 1121.29 | Joback Calculated Property |
| Cp,gas | 880.87 | J/mol×K | 1163.04 | Joback Calculated Property |
| Cp,gas | 884.48 | J/mol×K | 1204.80 | Joback Calculated Property |
| Cp,gas | 886.68 | J/mol×K | 1246.55 | Joback Calculated Property |
| Cp,gas | 887.49 | J/mol×K | 1288.31 | Joback Calculated Property |
| Cp,gas | 886.91 | J/mol×K | 1330.07 | Joback Calculated Property |
| η | [0.0000256; 0.0001325] | Pa×s | [722.04; 1079.53] |
|
| η | 0.0001325 | Pa×s | 722.04 | Joback Calculated Property |
| η | 0.0000908 | Pa×s | 781.62 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 841.20 | Joback Calculated Property |
| η | 0.0000495 | Pa×s | 900.78 | Joback Calculated Property |
| η | 0.0000387 | Pa×s | 960.37 | Joback Calculated Property |
| η | 0.0000311 | Pa×s | 1019.95 | Joback Calculated Property |
| η | 0.0000256 | Pa×s | 1079.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isohexyl pentachlorophenyl ester.
Sources
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