- InChI
- InChI=1S/C23H25Cl3O4/c1-2-3-4-5-6-7-8-12-29-22(27)16-10-9-11-17(13-16)23(28)30-21-19(25)14-18(24)15-20(21)26/h9-11,13-15H,2-8,12H2,1H3
- InChI Key
- AAXXQKUSRGISMD-UHFFFAOYSA-N
- Formula
- C23H25Cl3O4
- SMILES
-
CCCCCCCCCOC(=O)c1cccc(C(=O)Oc2
c(Cl)cc(Cl)cc2Cl)c1 - Molecular Weight1
- 471.80
- 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° | -174.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -627.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.46 | kJ/mol | Joback Calculated Property |
| log10WS | -9.20 | Crippen Calculated Property | |
| logPoct/wat | 7.773 | Crippen Calculated Property | |
| McVol | 339.010 | ml/mol | McGowan Calculated Property |
| Pc | 1237.22 | kPa | Joback Calculated Property |
| Inp | [3413.00; 3413.00] |
|
|
| Inp | 3413.00 | NIST | |
| Inp | 3413.00 | NIST | |
| Tboil | 1063.79 | K | Joback Calculated Property |
| Tc | 1305.08 | K | Joback Calculated Property |
| Tfus | 685.97 | K | Joback Calculated Property |
| Vc | 1.302 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1015.27; 1053.53] | J/mol×K | [1063.79; 1305.08] |
|
| Cp,gas | 1015.27 | J/mol×K | 1063.79 | Joback Calculated Property |
| Cp,gas | 1025.13 | J/mol×K | 1104.00 | Joback Calculated Property |
| Cp,gas | 1033.53 | J/mol×K | 1144.22 | Joback Calculated Property |
| Cp,gas | 1040.53 | J/mol×K | 1184.43 | Joback Calculated Property |
| Cp,gas | 1046.17 | J/mol×K | 1224.65 | Joback Calculated Property |
| Cp,gas | 1050.49 | J/mol×K | 1264.86 | Joback Calculated Property |
| Cp,gas | 1053.53 | J/mol×K | 1305.08 | Joback Calculated Property |
| η | [0.0000240; 0.0001539] | Pa×s | [685.97; 1063.79] |
|
| η | 0.0001539 | Pa×s | 685.97 | Joback Calculated Property |
| η | 0.0000991 | Pa×s | 748.94 | Joback Calculated Property |
| η | 0.0000684 | Pa×s | 811.91 | Joback Calculated Property |
| η | 0.0000497 | Pa×s | 874.88 | Joback Calculated Property |
| η | 0.0000378 | Pa×s | 937.85 | Joback Calculated Property |
| η | 0.0000297 | Pa×s | 1000.82 | Joback Calculated Property |
| η | 0.0000240 | Pa×s | 1063.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, nonyl 2,4,6-trichlorophenyl ester.
Sources
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