- InChI
- InChI=1S/C21H22Cl2O4/c22-18-10-6-16(7-11-18)14-26-20(24)4-2-1-3-5-21(25)27-15-17-8-12-19(23)13-9-17/h6-13H,1-5,14-15H2
- InChI Key
- MNHDDFFWEMRITG-UHFFFAOYSA-N
- Formula
- C21H22Cl2O4
- SMILES
-
O=C(CCCCCC(=O)OCc1ccc(Cl)cc1)O
Cc1ccc(Cl)cc1 - Molecular Weight1
- 409.30
- 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° | -160.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -547.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.30 | kJ/mol | Joback Calculated Property |
| log10WS | -6.90 | Crippen Calculated Property | |
| logPoct/wat | 5.731 | Crippen Calculated Property | |
| McVol | 298.590 | ml/mol | McGowan Calculated Property |
| Pc | 1497.67 | kPa | Joback Calculated Property |
| Inp | [3114.00; 3114.00] |
|
|
| Inp | 3114.00 | NIST | |
| Inp | 3114.00 | NIST | |
| Tboil | 970.64 | K | Joback Calculated Property |
| Tc | 1202.13 | K | Joback Calculated Property |
| Tfus | 608.47 | K | Joback Calculated Property |
| Vc | 1.141 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [882.37; 932.44] | J/mol×K | [970.64; 1202.13] |
|
| Cp,gas | 882.37 | J/mol×K | 970.64 | Joback Calculated Property |
| Cp,gas | 893.80 | J/mol×K | 1009.22 | Joback Calculated Property |
| Cp,gas | 903.93 | J/mol×K | 1047.80 | Joback Calculated Property |
| Cp,gas | 912.82 | J/mol×K | 1086.38 | Joback Calculated Property |
| Cp,gas | 920.50 | J/mol×K | 1124.96 | Joback Calculated Property |
| Cp,gas | 927.02 | J/mol×K | 1163.55 | Joback Calculated Property |
| Cp,gas | 932.44 | J/mol×K | 1202.13 | Joback Calculated Property |
| η | [0.0000366; 0.0002820] | Pa×s | [608.47; 970.64] |
|
| η | 0.0002820 | Pa×s | 608.47 | Joback Calculated Property |
| η | 0.0001721 | Pa×s | 668.83 | Joback Calculated Property |
| η | 0.0001139 | Pa×s | 729.19 | Joback Calculated Property |
| η | 0.0000803 | Pa×s | 789.56 | Joback Calculated Property |
| η | 0.0000595 | Pa×s | 849.92 | Joback Calculated Property |
| η | 0.0000459 | Pa×s | 910.28 | Joback Calculated Property |
| η | 0.0000366 | Pa×s | 970.64 | Joback Calculated Property |
Similar Compounds
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Sources
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