- InChI
- InChI=1S/C18H24Cl2O4/c1-13(2)11-23-17(21)6-4-3-5-7-18(22)24-12-14-8-15(19)10-16(20)9-14/h8-10,13H,3-7,11-12H2,1-2H3
- InChI Key
- MNJPDUWPZVYKOO-UHFFFAOYSA-N
- Formula
- C18H24Cl2O4
- SMILES
-
CC(C)COC(=O)CCCCCC(=O)OCc1cc(C
l)cc(Cl)c1 - Molecular Weight1
- 375.29
- 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° | -300.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -727.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.96 | kJ/mol | Joback Calculated Property |
| log10WS | -5.81 | Crippen Calculated Property | |
| logPoct/wat | 5.186 | Crippen Calculated Property | |
| McVol | 280.080 | ml/mol | McGowan Calculated Property |
| Pc | 1457.90 | kPa | Joback Calculated Property |
| Inp | [2548.00; 2548.00] |
|
|
| Inp | 2548.00 | NIST | |
| Inp | 2548.00 | NIST | |
| Tboil | 874.88 | K | Joback Calculated Property |
| Tc | 1086.47 | K | Joback Calculated Property |
| Tfus | 533.24 | K | Joback Calculated Property |
| Vc | 1.075 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [813.01; 876.88] | J/mol×K | [874.88; 1086.47] |
|
| Cp,gas | 813.01 | J/mol×K | 874.88 | Joback Calculated Property |
| Cp,gas | 826.39 | J/mol×K | 910.15 | Joback Calculated Property |
| Cp,gas | 838.66 | J/mol×K | 945.41 | Joback Calculated Property |
| Cp,gas | 849.82 | J/mol×K | 980.68 | Joback Calculated Property |
| Cp,gas | 859.90 | J/mol×K | 1015.94 | Joback Calculated Property |
| Cp,gas | 868.92 | J/mol×K | 1051.21 | Joback Calculated Property |
| Cp,gas | 876.88 | J/mol×K | 1086.47 | Joback Calculated Property |
| η | [0.0000503; 0.0004701] | Pa×s | [533.24; 874.88] |
|
| η | 0.0004701 | Pa×s | 533.24 | Joback Calculated Property |
| η | 0.0002706 | Pa×s | 590.18 | Joback Calculated Property |
| η | 0.0001716 | Pa×s | 647.12 | Joback Calculated Property |
| η | 0.0001172 | Pa×s | 704.06 | Joback Calculated Property |
| η | 0.0000847 | Pa×s | 761.00 | Joback Calculated Property |
| η | 0.0000641 | Pa×s | 817.94 | Joback Calculated Property |
| η | 0.0000503 | Pa×s | 874.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 3,5-dichlorobenzyl isobutyl ester.
Sources
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