- InChI
- InChI=1S/C18H21Cl3O4/c19-13-9-14(20)18(21)15(10-13)25-17(23)8-4-7-16(22)24-11-12-5-2-1-3-6-12/h9-10,12H,1-8,11H2
- InChI Key
- FHUMFNYSRTWROK-UHFFFAOYSA-N
- Formula
- C18H21Cl3O4
- SMILES
-
O=C(CCCC(=O)Oc1cc(Cl)cc(Cl)c1C
l)OCC1CCCCC1 - Molecular Weight1
- 407.72
- 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° | -294.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -695.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.82 | kJ/mol | Joback Calculated Property |
| log10WS | -6.54 | Crippen Calculated Property | |
| logPoct/wat | 5.846 | Crippen Calculated Property | |
| McVol | 281.460 | ml/mol | McGowan Calculated Property |
| Pc | 1633.81 | kPa | Joback Calculated Property |
| Inp | [2872.00; 2872.00] |
|
|
| Inp | 2872.00 | NIST | |
| Inp | 2872.00 | NIST | |
| Tboil | 937.28 | K | Joback Calculated Property |
| Tc | 1171.74 | K | Joback Calculated Property |
| Tfus | 598.06 | K | Joback Calculated Property |
| Vc | 1.063 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [826.52; 877.44] | J/mol×K | [937.28; 1171.74] |
|
| Cp,gas | 826.52 | J/mol×K | 937.28 | Joback Calculated Property |
| Cp,gas | 838.64 | J/mol×K | 976.36 | Joback Calculated Property |
| Cp,gas | 849.27 | J/mol×K | 1015.43 | Joback Calculated Property |
| Cp,gas | 858.44 | J/mol×K | 1054.51 | Joback Calculated Property |
| Cp,gas | 866.18 | J/mol×K | 1093.58 | Joback Calculated Property |
| Cp,gas | 872.51 | J/mol×K | 1132.66 | Joback Calculated Property |
| Cp,gas | 877.44 | J/mol×K | 1171.74 | Joback Calculated Property |
| η | [0.0000493; 0.0003541] | Pa×s | [598.06; 937.28] |
|
| η | 0.0003541 | Pa×s | 598.06 | Joback Calculated Property |
| η | 0.0002212 | Pa×s | 654.60 | Joback Calculated Property |
| η | 0.0001489 | Pa×s | 711.13 | Joback Calculated Property |
| η | 0.0001062 | Pa×s | 767.67 | Joback Calculated Property |
| η | 0.0000794 | Pa×s | 824.21 | Joback Calculated Property |
| η | 0.0000616 | Pa×s | 880.74 | Joback Calculated Property |
| η | 0.0000493 | Pa×s | 937.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl 2,3,5-trichlorophenyl ester.
Sources
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