- InChI
- InChI=1S/C22H32Cl2O4/c1-2-3-4-5-6-10-13-27-21(25)11-8-7-9-12-22(26)28-17-18-14-19(23)16-20(24)15-18/h14-16H,2-13,17H2,1H3
- InChI Key
- MZNKXXZEPHREHF-UHFFFAOYSA-N
- Formula
- C22H32Cl2O4
- SMILES
-
CCCCCCCCOC(=O)CCCCCC(=O)OCc1cc
(Cl)cc(Cl)c1 - Molecular Weight1
- 431.39
- 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° | -264.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -804.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.25 | kJ/mol | Joback Calculated Property |
| log10WS | -7.72 | Crippen Calculated Property | |
| logPoct/wat | 6.891 | Crippen Calculated Property | |
| McVol | 336.440 | ml/mol | McGowan Calculated Property |
| Pc | 1103.01 | kPa | Joback Calculated Property |
| Inp | [2996.00; 2996.00] |
|
|
| Inp | 2996.00 | NIST | |
| Inp | 2996.00 | NIST | |
| Tboil | 966.84 | K | Joback Calculated Property |
| Tc | 1184.56 | K | Joback Calculated Property |
| Tfus | 593.32 | K | Joback Calculated Property |
| Vc | 1.306 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1048.35; 1113.96] | J/mol×K | [966.84; 1184.56] |
|
| Cp,gas | 1048.35 | J/mol×K | 966.84 | Joback Calculated Property |
| Cp,gas | 1062.47 | J/mol×K | 1003.13 | Joback Calculated Property |
| Cp,gas | 1075.27 | J/mol×K | 1039.41 | Joback Calculated Property |
| Cp,gas | 1086.79 | J/mol×K | 1075.70 | Joback Calculated Property |
| Cp,gas | 1097.05 | J/mol×K | 1111.99 | Joback Calculated Property |
| Cp,gas | 1106.10 | J/mol×K | 1148.27 | Joback Calculated Property |
| Cp,gas | 1113.96 | J/mol×K | 1184.56 | Joback Calculated Property |
| η | [0.0000304; 0.0002763] | Pa×s | [593.32; 966.84] |
|
| η | 0.0002763 | Pa×s | 593.32 | Joback Calculated Property |
| η | 0.0001606 | Pa×s | 655.57 | Joback Calculated Property |
| η | 0.0001025 | Pa×s | 717.83 | Joback Calculated Property |
| η | 0.0000703 | Pa×s | 780.08 | Joback Calculated Property |
| η | 0.0000510 | Pa×s | 842.33 | Joback Calculated Property |
| η | 0.0000386 | Pa×s | 904.59 | Joback Calculated Property |
| η | 0.0000304 | Pa×s | 966.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 3,5-dichlorobenzyl octyl ester.
Sources
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