- InChI
- InChI=1S/C17H21Cl3O4/c1-4-14(10(2)3)23-16(21)6-5-7-17(22)24-15-9-12(19)11(18)8-13(15)20/h8-10,14H,4-7H2,1-3H3
- InChI Key
- LBJSTFGARAIAMK-UHFFFAOYSA-N
- Formula
- C17H21Cl3O4
- SMILES
-
CCC(OC(=O)CCCC(=O)Oc1cc(Cl)c(C
l)cc1Cl)C(C)C - Molecular Weight1
- 395.70
- 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° | -332.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -739.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.39 | kJ/mol | Joback Calculated Property |
| log10WS | -6.34 | Crippen Calculated Property | |
| logPoct/wat | 5.700 | Crippen Calculated Property | |
| McVol | 278.230 | ml/mol | McGowan Calculated Property |
| Pc | 1517.57 | kPa | Joback Calculated Property |
| Inp | [2533.00; 2533.00] |
|
|
| Inp | 2533.00 | NIST | |
| Inp | 2533.00 | NIST | |
| Tboil | 893.97 | K | Joback Calculated Property |
| Tc | 1113.16 | K | Joback Calculated Property |
| Tfus | 549.41 | K | Joback Calculated Property |
| Vc | 1.062 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [778.04; 833.02] | J/mol×K | [893.97; 1113.16] |
|
| Cp,gas | 778.04 | J/mol×K | 893.97 | Joback Calculated Property |
| Cp,gas | 790.01 | J/mol×K | 930.50 | Joback Calculated Property |
| Cp,gas | 800.84 | J/mol×K | 967.03 | Joback Calculated Property |
| Cp,gas | 810.55 | J/mol×K | 1003.56 | Joback Calculated Property |
| Cp,gas | 819.14 | J/mol×K | 1040.10 | Joback Calculated Property |
| Cp,gas | 826.63 | J/mol×K | 1076.63 | Joback Calculated Property |
| Cp,gas | 833.02 | J/mol×K | 1113.16 | Joback Calculated Property |
| η | [0.0000461; 0.0004110] | Pa×s | [549.41; 893.97] |
|
| η | 0.0004110 | Pa×s | 549.41 | Joback Calculated Property |
| η | 0.0002402 | Pa×s | 606.84 | Joback Calculated Property |
| η | 0.0001541 | Pa×s | 664.26 | Joback Calculated Property |
| η | 0.0001061 | Pa×s | 721.69 | Joback Calculated Property |
| η | 0.0000772 | Pa×s | 779.12 | Joback Calculated Property |
| η | 0.0000586 | Pa×s | 836.54 | Joback Calculated Property |
| η | 0.0000461 | Pa×s | 893.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylpent-3-yl 2,4,5-trichlorophenyl ester.
Sources
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