- InChI
- InChI=1S/C18H16Cl2O4/c1-2-3-7-23-17(21)12-5-4-6-13(8-12)18(22)24-16-10-14(19)9-15(20)11-16/h4-6,8-11H,2-3,7H2,1H3
- InChI Key
- QEJJVMUTXDSBSH-UHFFFAOYSA-N
- Formula
- C18H16Cl2O4
- SMILES
-
CCCCOC(=O)c1cccc(C(=O)Oc2cc(Cl
)cc(Cl)c2)c1 - Molecular Weight1
- 367.22
- 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° | -195.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -497.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.28 | kJ/mol | Joback Calculated Property |
| log10WS | -6.43 | Crippen Calculated Property | |
| logPoct/wat | 5.170 | Crippen Calculated Property | |
| McVol | 256.320 | ml/mol | McGowan Calculated Property |
| Pc | 1872.41 | kPa | Joback Calculated Property |
| Inp | 2727.00 | NIST | |
| Tboil | 906.98 | K | Joback Calculated Property |
| Tc | 1142.81 | K | Joback Calculated Property |
| Tfus | 587.18 | K | Joback Calculated Property |
| Vc | 0.974 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [709.35; 757.26] | J/mol×K | [906.98; 1142.81] | 
|
| Cp,gas | 709.35 | J/mol×K | 906.98 | Joback Calculated Property |
| Cp,gas | 720.35 | J/mol×K | 946.28 | Joback Calculated Property |
| Cp,gas | 730.10 | J/mol×K | 985.59 | Joback Calculated Property |
| Cp,gas | 738.64 | J/mol×K | 1024.89 | Joback Calculated Property |
| Cp,gas | 746.00 | J/mol×K | 1064.20 | Joback Calculated Property |
| Cp,gas | 752.20 | J/mol×K | 1103.50 | Joback Calculated Property |
| Cp,gas | 757.26 | J/mol×K | 1142.81 | Joback Calculated Property |
| η | [0.0000577; 0.0003488] | Pa×s | [587.18; 906.98] |
|
| η | 0.0003488 | Pa×s | 587.18 | Joback Calculated Property |
| η | 0.0002281 | Pa×s | 640.48 | Joback Calculated Property |
| η | 0.0001592 | Pa×s | 693.78 | Joback Calculated Property |
| η | 0.0001170 | Pa×s | 747.08 | Joback Calculated Property |
| η | 0.0000895 | Pa×s | 800.38 | Joback Calculated Property |
| η | 0.0000709 | Pa×s | 853.68 | Joback Calculated Property |
| η | 0.0000577 | Pa×s | 906.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl 3,5-dichlorophenyl ester.
Sources
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