- InChI
- InChI=1S/C18H13Cl5O4/c1-8(2)7-26-17(24)9-4-3-5-10(6-9)18(25)27-16-14(22)12(20)11(19)13(21)15(16)23/h3-6,8H,7H2,1-2H3
- InChI Key
- LSEIWOOCOOPTAH-UHFFFAOYSA-N
- Formula
- C18H13Cl5O4
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)Oc2c(C
l)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° | -262.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -584.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.04 | kJ/mol | Joback Calculated Property |
| log10WS | -8.24 | Crippen Calculated Property | |
| logPoct/wat | 6.986 | Crippen Calculated Property | |
| McVol | 293.040 | ml/mol | McGowan Calculated Property |
| Pc | 1653.80 | kPa | Joback Calculated Property |
| Inp | [3167.00; 3167.00] |
|
|
| Inp | 3167.00 | NIST | |
| Inp | 3167.00 | NIST | |
| Tboil | 1033.77 | K | Joback Calculated Property |
| Tc | 1284.55 | K | Joback Calculated Property |
| Tfus | 699.50 | K | Joback Calculated Property |
| Vc | 1.115 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [755.84; 774.59] | J/mol×K | [1033.77; 1284.55] |
|
| Cp,gas | 755.84 | J/mol×K | 1033.77 | Joback Calculated Property |
| Cp,gas | 762.31 | J/mol×K | 1075.57 | Joback Calculated Property |
| Cp,gas | 767.41 | J/mol×K | 1117.36 | Joback Calculated Property |
| Cp,gas | 771.15 | J/mol×K | 1159.16 | Joback Calculated Property |
| Cp,gas | 773.54 | J/mol×K | 1200.96 | Joback Calculated Property |
| Cp,gas | 774.59 | J/mol×K | 1242.75 | Joback Calculated Property |
| Cp,gas | 774.31 | J/mol×K | 1284.55 | Joback Calculated Property |
| η | [0.0000347; 0.0001670] | Pa×s | [699.50; 1033.77] |
|
| η | 0.0001670 | Pa×s | 699.50 | Joback Calculated Property |
| η | 0.0001167 | Pa×s | 755.21 | Joback Calculated Property |
| η | 0.0000857 | Pa×s | 810.92 | Joback Calculated Property |
| η | 0.0000655 | Pa×s | 866.63 | Joback Calculated Property |
| η | 0.0000517 | Pa×s | 922.35 | Joback Calculated Property |
| η | 0.0000419 | Pa×s | 978.06 | Joback Calculated Property |
| η | 0.0000347 | Pa×s | 1033.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isobutyl pentachlorophenyl ester.
Sources
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