- InChI
- InChI=1S/C29H22Cl2O4/c1-18-3-7-20(8-4-18)28(32)34-26-13-11-24(30)16-22(26)15-23-17-25(31)12-14-27(23)35-29(33)21-9-5-19(2)6-10-21/h3-14,16-17H,15H2,1-2H3
- InChI Key
- PHHBCNJGNQBPRS-UHFFFAOYSA-N
- Formula
- C29H22Cl2O4
- SMILES
-
Cc1ccc(C(=O)Oc2ccc(Cl)cc2Cc2cc
(Cl)ccc2OC(=O)c2ccc(C)cc2)cc1 - Molecular Weight1
- 505.39
- 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° | 93.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -285.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.31 | kJ/mol | Joback Calculated Property |
| log10WS | -10.07 | Crippen Calculated Property | |
| logPoct/wat | 7.639 | Crippen Calculated Property | |
| McVol | 363.790 | ml/mol | McGowan Calculated Property |
| Pc | 1322.31 | kPa | Joback Calculated Property |
| Inp | [3312.00; 3312.00] |
|
|
| Inp | 3312.00 | NIST | |
| Inp | 3312.00 | NIST | |
| Tboil | 1226.96 | K | Joback Calculated Property |
| Tc | 1506.22 | K | Joback Calculated Property |
| Tfus | 801.55 | K | Joback Calculated Property |
| Vc | 1.373 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1105.04; 1114.49] | J/mol×K | [1226.96; 1506.22] |
|
| Cp,gas | 1105.04 | J/mol×K | 1226.96 | Joback Calculated Property |
| Cp,gas | 1109.78 | J/mol×K | 1273.50 | Joback Calculated Property |
| Cp,gas | 1112.86 | J/mol×K | 1320.05 | Joback Calculated Property |
| Cp,gas | 1114.40 | J/mol×K | 1366.59 | Joback Calculated Property |
| Cp,gas | 1114.49 | J/mol×K | 1413.13 | Joback Calculated Property |
| Cp,gas | 1113.24 | J/mol×K | 1459.67 | Joback Calculated Property |
| Cp,gas | 1110.77 | J/mol×K | 1506.22 | Joback Calculated Property |
| η | [0.0000136; 0.0000750] | Pa×s | [801.55; 1226.96] |
|
| η | 0.0000750 | Pa×s | 801.55 | Joback Calculated Property |
| η | 0.0000503 | Pa×s | 872.45 | Joback Calculated Property |
| η | 0.0000358 | Pa×s | 943.35 | Joback Calculated Property |
| η | 0.0000267 | Pa×s | 1014.26 | Joback Calculated Property |
| η | 0.0000207 | Pa×s | 1085.16 | Joback Calculated Property |
| η | 0.0000166 | Pa×s | 1156.06 | Joback Calculated Property |
| η | 0.0000136 | Pa×s | 1226.96 | Joback Calculated Property |
Similar Compounds
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Sources
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