- InChI
- InChI=1S/C18H16Cl2O4/c1-11(2)10-23-17(21)12-4-3-5-13(6-12)18(22)24-16-8-14(19)7-15(20)9-16/h3-9,11H,10H2,1-2H3
- InChI Key
- BXZIDMFEXRBFRY-UHFFFAOYSA-N
- Formula
- C18H16Cl2O4
- SMILES
-
CC(C)COC(=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° | -197.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -502.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.89 | kJ/mol | Joback Calculated Property |
| log10WS | -6.19 | Crippen Calculated Property | |
| logPoct/wat | 5.025 | Crippen Calculated Property | |
| McVol | 256.320 | ml/mol | McGowan Calculated Property |
| Pc | 1885.44 | kPa | Joback Calculated Property |
| Inp | [2677.00; 2677.00] |
|
|
| Inp | 2677.00 | NIST | |
| Inp | 2677.00 | NIST | |
| Tboil | 906.54 | K | Joback Calculated Property |
| Tc | 1145.54 | K | Joback Calculated Property |
| Tfus | 572.18 | K | Joback Calculated Property |
| Vc | 0.968 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [709.90; 757.72] | J/mol×K | [906.54; 1145.54] |
|
| Cp,gas | 709.90 | J/mol×K | 906.54 | Joback Calculated Property |
| Cp,gas | 721.00 | J/mol×K | 946.37 | Joback Calculated Property |
| Cp,gas | 730.81 | J/mol×K | 986.21 | Joback Calculated Property |
| Cp,gas | 739.36 | J/mol×K | 1026.04 | Joback Calculated Property |
| Cp,gas | 746.68 | J/mol×K | 1065.87 | Joback Calculated Property |
| Cp,gas | 752.79 | J/mol×K | 1105.71 | Joback Calculated Property |
| Cp,gas | 757.72 | J/mol×K | 1145.54 | Joback Calculated Property |
| η | [0.0000527; 0.0003726] | Pa×s | [572.18; 906.54] |
|
| η | 0.0003726 | Pa×s | 572.18 | Joback Calculated Property |
| η | 0.0002327 | Pa×s | 627.91 | Joback Calculated Property |
| η | 0.0001569 | Pa×s | 683.63 | Joback Calculated Property |
| η | 0.0001123 | Pa×s | 739.36 | Joback Calculated Property |
| η | 0.0000842 | Pa×s | 795.09 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 850.81 | Joback Calculated Property |
| η | 0.0000527 | Pa×s | 906.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,5-dichlorophenyl isobutyl ester.
Sources
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