- InChI
- InChI=1S/C16H20Cl2O4/c1-16(2,3)10-21-13(19)8-5-9-14(20)22-12-7-4-6-11(17)15(12)18/h4,6-7H,5,8-10H2,1-3H3
- InChI Key
- LTJJQJKVXZWYEW-UHFFFAOYSA-N
- Formula
- C16H20Cl2O4
- SMILES
-
CC(C)(C)COC(=O)CCCC(=O)Oc1cccc
(Cl)c1Cl - Molecular Weight1
- 347.23
- 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° | -311.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -689.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.60 | kJ/mol | Joback Calculated Property |
| log10WS | -5.12 | Crippen Calculated Property | |
| logPoct/wat | 4.658 | Crippen Calculated Property | |
| McVol | 251.900 | ml/mol | McGowan Calculated Property |
| Pc | 1713.19 | kPa | Joback Calculated Property |
| Inp | [2319.00; 2319.00] |
|
|
| Inp | 2319.00 | NIST | |
| Inp | 2319.00 | NIST | |
| Tboil | 826.33 | K | Joback Calculated Property |
| Tc | 1044.31 | K | Joback Calculated Property |
| Tfus | 528.12 | K | Joback Calculated Property |
| Vc | 0.959 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [700.42; 763.21] | J/mol×K | [826.33; 1044.31] |
|
| Cp,gas | 700.42 | J/mol×K | 826.33 | Joback Calculated Property |
| Cp,gas | 713.37 | J/mol×K | 862.66 | Joback Calculated Property |
| Cp,gas | 725.29 | J/mol×K | 898.99 | Joback Calculated Property |
| Cp,gas | 736.19 | J/mol×K | 935.32 | Joback Calculated Property |
| Cp,gas | 746.13 | J/mol×K | 971.65 | Joback Calculated Property |
| Cp,gas | 755.12 | J/mol×K | 1007.98 | Joback Calculated Property |
| Cp,gas | 763.21 | J/mol×K | 1044.31 | Joback Calculated Property |
| η | [0.0000580; 0.0004716] | Pa×s | [528.12; 826.33] |
|
| η | 0.0004716 | Pa×s | 528.12 | Joback Calculated Property |
| η | 0.0002861 | Pa×s | 577.82 | Joback Calculated Property |
| η | 0.0001879 | Pa×s | 627.52 | Joback Calculated Property |
| η | 0.0001313 | Pa×s | 677.22 | Joback Calculated Property |
| η | 0.0000963 | Pa×s | 726.93 | Joback Calculated Property |
| η | 0.0000735 | Pa×s | 776.63 | Joback Calculated Property |
| η | 0.0000580 | Pa×s | 826.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl neopentyl ester.
Sources
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