- InChI
- InChI=1S/C25H29Cl3O4/c1-2-3-4-5-6-7-8-11-14-31-24(29)19-12-9-10-13-20(19)25(30)32-17-21-22(27)15-18(26)16-23(21)28/h9-10,12-13,15-16H,2-8,11,14,17H2,1H3
- InChI Key
- ISCOTEXXDLPMAR-UHFFFAOYSA-N
- Formula
- C25H29Cl3O4
- SMILES
-
CCCCCCCCCCOC(=O)c1ccccc1C(=O)O
Cc1c(Cl)cc(Cl)cc1Cl - Molecular Weight1
- 499.85
- 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° | -157.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -668.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.91 | kJ/mol | Joback Calculated Property |
| log10WS | -9.89 | Crippen Calculated Property | |
| logPoct/wat | 8.301 | Crippen Calculated Property | |
| McVol | 367.190 | ml/mol | McGowan Calculated Property |
| Pc | 1085.63 | kPa | Joback Calculated Property |
| Inp | [3358.00; 3358.00] |
|
|
| Inp | 3358.00 | NIST | |
| Inp | 3358.00 | NIST | |
| Tboil | 1109.55 | K | Joback Calculated Property |
| Tc | 1358.42 | K | Joback Calculated Property |
| Tfus | 708.51 | K | Joback Calculated Property |
| Vc | 1.415 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1133.94; 1170.85] | J/mol×K | [1109.55; 1358.42] |
|
| Cp,gas | 1133.94 | J/mol×K | 1109.55 | Joback Calculated Property |
| Cp,gas | 1143.84 | J/mol×K | 1151.03 | Joback Calculated Property |
| Cp,gas | 1152.17 | J/mol×K | 1192.51 | Joback Calculated Property |
| Cp,gas | 1158.97 | J/mol×K | 1233.98 | Joback Calculated Property |
| Cp,gas | 1164.32 | J/mol×K | 1275.46 | Joback Calculated Property |
| Cp,gas | 1168.26 | J/mol×K | 1316.94 | Joback Calculated Property |
| Cp,gas | 1170.85 | J/mol×K | 1358.42 | Joback Calculated Property |
| η | [0.0000176; 0.0001210] | Pa×s | [708.51; 1109.55] |
|
| η | 0.0001210 | Pa×s | 708.51 | Joback Calculated Property |
| η | 0.0000764 | Pa×s | 775.35 | Joback Calculated Property |
| η | 0.0000519 | Pa×s | 842.19 | Joback Calculated Property |
| η | 0.0000373 | Pa×s | 909.03 | Joback Calculated Property |
| η | 0.0000281 | Pa×s | 975.87 | Joback Calculated Property |
| η | 0.0000219 | Pa×s | 1042.71 | Joback Calculated Property |
| η | 0.0000176 | Pa×s | 1109.55 | Joback Calculated Property |
Similar Compounds
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Sources
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