- InChI
- InChI=1S/C18H15Cl3O4/c1-10(2)9-24-17(22)12-5-3-4-6-13(12)18(23)25-11-7-14(19)16(21)15(20)8-11/h3-8,10H,9H2,1-2H3
- InChI Key
- VNGVTRFLIOQIMJ-UHFFFAOYSA-N
- Formula
- C18H15Cl3O4
- SMILES
-
CC(C)COC(=O)c1ccccc1C(=O)Oc1cc
(Cl)c(Cl)c(Cl)c1 - Molecular Weight1
- 401.67
- 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° | -219.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -529.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.94 | kJ/mol | Joback Calculated Property |
| log10WS | -6.87 | Crippen Calculated Property | |
| logPoct/wat | 5.679 | Crippen Calculated Property | |
| McVol | 268.560 | ml/mol | McGowan Calculated Property |
| Pc | 1803.09 | kPa | Joback Calculated Property |
| Inp | [2736.00; 2736.00] |
|
|
| Inp | 2736.00 | NIST | |
| Inp | 2736.00 | NIST | |
| Tboil | 948.95 | K | Joback Calculated Property |
| Tc | 1191.57 | K | Joback Calculated Property |
| Tfus | 614.62 | K | Joback Calculated Property |
| Vc | 1.016 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [727.27; 765.69] | J/mol×K | [948.95; 1191.57] |
|
| Cp,gas | 727.27 | J/mol×K | 948.95 | Joback Calculated Property |
| Cp,gas | 736.84 | J/mol×K | 989.39 | Joback Calculated Property |
| Cp,gas | 745.12 | J/mol×K | 1029.82 | Joback Calculated Property |
| Cp,gas | 752.13 | J/mol×K | 1070.26 | Joback Calculated Property |
| Cp,gas | 757.88 | J/mol×K | 1110.70 | Joback Calculated Property |
| Cp,gas | 762.39 | J/mol×K | 1151.13 | Joback Calculated Property |
| Cp,gas | 765.69 | J/mol×K | 1191.57 | Joback Calculated Property |
| η | [0.0000461; 0.0002812] | Pa×s | [614.62; 948.95] |
|
| η | 0.0002812 | Pa×s | 614.62 | Joback Calculated Property |
| η | 0.0001835 | Pa×s | 670.34 | Joback Calculated Property |
| η | 0.0001279 | Pa×s | 726.06 | Joback Calculated Property |
| η | 0.0000938 | Pa×s | 781.79 | Joback Calculated Property |
| η | 0.0000717 | Pa×s | 837.51 | Joback Calculated Property |
| η | 0.0000567 | Pa×s | 893.23 | Joback Calculated Property |
| η | 0.0000461 | Pa×s | 948.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, isobutyl 3,4,5-trichlorophenyl ester.
Sources
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