- InChI
- InChI=1S/C18H23Cl3O5/c1-12(6-8-24-2)7-9-25-16(22)4-3-5-17(23)26-18-14(20)10-13(19)11-15(18)21/h10-12H,3-9H2,1-2H3
- InChI Key
- SJVCCNBBUMXNCX-UHFFFAOYSA-N
- Formula
- C18H23Cl3O5
- SMILES
-
COCCC(C)CCOC(=O)CCCC(=O)Oc1c(C
l)cc(Cl)cc1Cl - Molecular Weight1
- 425.73
- 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° | -426.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -887.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.41 | kJ/mol | Joback Calculated Property |
| log10WS | -5.73 | Crippen Calculated Property | |
| logPoct/wat | 5.328 | Crippen Calculated Property | |
| McVol | 298.190 | ml/mol | McGowan Calculated Property |
| Pc | 1384.02 | kPa | Joback Calculated Property |
| Inp | [2769.00; 2769.00] |
|
|
| Inp | 2769.00 | NIST | |
| Inp | 2769.00 | NIST | |
| Tboil | 939.71 | K | Joback Calculated Property |
| Tc | 1158.25 | K | Joback Calculated Property |
| Tfus | 597.91 | K | Joback Calculated Property |
| Vc | 1.143 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [861.06; 910.01] | J/mol×K | [939.71; 1158.25] |
|
| Cp,gas | 861.06 | J/mol×K | 939.71 | Joback Calculated Property |
| Cp,gas | 872.45 | J/mol×K | 976.13 | Joback Calculated Property |
| Cp,gas | 882.54 | J/mol×K | 1012.56 | Joback Calculated Property |
| Cp,gas | 891.35 | J/mol×K | 1048.98 | Joback Calculated Property |
| Cp,gas | 898.86 | J/mol×K | 1085.41 | Joback Calculated Property |
| Cp,gas | 905.08 | J/mol×K | 1121.83 | Joback Calculated Property |
| Cp,gas | 910.01 | J/mol×K | 1158.25 | Joback Calculated Property |
| η | [0.0000323; 0.0002396] | Pa×s | [597.91; 939.71] |
|
| η | 0.0002396 | Pa×s | 597.91 | Joback Calculated Property |
| η | 0.0001483 | Pa×s | 654.88 | Joback Calculated Property |
| η | 0.0000992 | Pa×s | 711.84 | Joback Calculated Property |
| η | 0.0000704 | Pa×s | 768.81 | Joback Calculated Property |
| η | 0.0000524 | Pa×s | 825.78 | Joback Calculated Property |
| η | 0.0000405 | Pa×s | 882.74 | Joback Calculated Property |
| η | 0.0000323 | Pa×s | 939.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl 3-methyl-5-methoxypentyl ester.
Sources
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