- InChI
- InChI=1S/C21H24Cl2O4/c1-14(2)7-6-12-26-19(24)10-5-11-20(25)27-21-16-9-4-3-8-15(16)17(22)13-18(21)23/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3
- InChI Key
- OBAORUIAXDVJLL-UHFFFAOYSA-N
- Formula
- C21H24Cl2O4
- SMILES
-
CC(C)CCCOC(=O)CCCC(=O)Oc1c(Cl)
cc(Cl)c2ccccc12 - Molecular Weight1
- 411.32
- 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° | -178.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -609.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.94 | kJ/mol | Joback Calculated Property |
| log10WS | -7.35 | Crippen Calculated Property | |
| logPoct/wat | 6.202 | Crippen Calculated Property | |
| McVol | 302.890 | ml/mol | McGowan Calculated Property |
| Pc | 1395.41 | kPa | Joback Calculated Property |
| Inp | [3081.00; 3081.00] |
|
|
| Inp | 3081.00 | NIST | |
| Inp | 3081.00 | NIST | |
| Tboil | 967.48 | K | Joback Calculated Property |
| Tc | 1194.15 | K | Joback Calculated Property |
| Tfus | 612.27 | K | Joback Calculated Property |
| Vc | 1.165 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [905.73; 964.32] | J/mol×K | [967.48; 1194.15] |
|
| Cp,gas | 905.73 | J/mol×K | 967.48 | Joback Calculated Property |
| Cp,gas | 918.08 | J/mol×K | 1005.26 | Joback Calculated Property |
| Cp,gas | 929.32 | J/mol×K | 1043.04 | Joback Calculated Property |
| Cp,gas | 939.52 | J/mol×K | 1080.82 | Joback Calculated Property |
| Cp,gas | 948.71 | J/mol×K | 1118.60 | Joback Calculated Property |
| Cp,gas | 956.96 | J/mol×K | 1156.37 | Joback Calculated Property |
| Cp,gas | 964.32 | J/mol×K | 1194.15 | Joback Calculated Property |
| η | [0.0000684; 0.0004101] | Pa×s | [612.27; 967.48] |
|
| η | 0.0004101 | Pa×s | 612.27 | Joback Calculated Property |
| η | 0.0002667 | Pa×s | 671.47 | Joback Calculated Property |
| η | 0.0001860 | Pa×s | 730.67 | Joback Calculated Property |
| η | 0.0001369 | Pa×s | 789.88 | Joback Calculated Property |
| η | 0.0001052 | Pa×s | 849.08 | Joback Calculated Property |
| η | 0.0000836 | Pa×s | 908.28 | Joback Calculated Property |
| η | 0.0000684 | Pa×s | 967.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,4-dichloronaphthyl isohexyl ester.
Sources
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