- InChI
- InChI=1S/C21H39ClO4/c1-18(16-21(2,3)4)17-26-20(24)13-11-12-19(23)25-15-10-8-6-5-7-9-14-22/h18H,5-17H2,1-4H3
- InChI Key
- GDJJJBABGNUWTQ-UHFFFAOYSA-N
- Formula
- C21H39ClO4
- SMILES
-
CC(COC(=O)CCCC(=O)OCCCCCCCCCl)
CC(C)(C)C - Molecular Weight1
- 390.99
- 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° | -353.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -996.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.35 | kJ/mol | Joback Calculated Property |
| log10WS | -6.01 | Crippen Calculated Property | |
| logPoct/wat | 5.895 | Crippen Calculated Property | |
| McVol | 333.870 | ml/mol | McGowan Calculated Property |
| Pc | 1006.53 | kPa | Joback Calculated Property |
| Inp | [2620.00; 2620.00] |
|
|
| Inp | 2620.00 | NIST | |
| Inp | 2620.00 | NIST | |
| Tboil | 866.22 | K | Joback Calculated Property |
| Tc | 1062.30 | K | Joback Calculated Property |
| Tfus | 488.09 | K | Joback Calculated Property |
| Vc | 1.292 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1062.81; 1152.40] | J/mol×K | [866.22; 1062.30] |
|
| Cp,gas | 1062.81 | J/mol×K | 866.22 | Joback Calculated Property |
| Cp,gas | 1080.48 | J/mol×K | 898.90 | Joback Calculated Property |
| Cp,gas | 1097.00 | J/mol×K | 931.58 | Joback Calculated Property |
| Cp,gas | 1112.42 | J/mol×K | 964.26 | Joback Calculated Property |
| Cp,gas | 1126.76 | J/mol×K | 996.94 | Joback Calculated Property |
| Cp,gas | 1140.08 | J/mol×K | 1029.62 | Joback Calculated Property |
| Cp,gas | 1152.40 | J/mol×K | 1062.30 | Joback Calculated Property |
| η | [0.0000282; 0.0006294] | Pa×s | [488.09; 866.22] |
|
| η | 0.0006294 | Pa×s | 488.09 | Joback Calculated Property |
| η | 0.0002789 | Pa×s | 551.11 | Joback Calculated Property |
| η | 0.0001461 | Pa×s | 614.13 | Joback Calculated Property |
| η | 0.0000863 | Pa×s | 677.15 | Joback Calculated Property |
| η | 0.0000557 | Pa×s | 740.18 | Joback Calculated Property |
| η | 0.0000386 | Pa×s | 803.20 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 866.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl 2,4,4-trimethylpentyl ester.
Sources
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