- InChI
- InChI=1S/C12H20Cl2O4/c1-12(2,3)8-18-11(16)6-4-5-10(15)17-7-9(13)14/h9H,4-8H2,1-3H3
- InChI Key
- QLEGELAPPQLNPY-UHFFFAOYSA-N
- Formula
- C12H20Cl2O4
- SMILES
-
CC(C)(C)COC(=O)CCCC(=O)OCC(Cl)
Cl - Molecular Weight1
- 299.19
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7370 | Relay (1.0) Calculated Property | |
| ΔfG° | -441.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -981.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.093 | Crippen Calculated Property | |
| McVol | 219.300 | ml/mol | McGowan Calculated Property |
| Pc | 1849.92 | kPa | Joback Calculated Property |
| Inp | [1786.00; 1786.00] |
|
|
| Inp | 1786.00 | NIST | |
| Inp | 1786.00 | NIST | |
| Tboil | 573.10 | K | Relay (1.0) Calculated Property |
| Tc | 748.59 | K | Relay (1.0) Calculated Property |
| Tfus | 331.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.807 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.25; 645.74] | J/mol×K | [697.73; 894.59] |
|
| Cp,gas | 576.25 | J/mol×K | 697.73 | Joback Calculated Property |
| Cp,gas | 589.82 | J/mol×K | 730.54 | Joback Calculated Property |
| Cp,gas | 602.57 | J/mol×K | 763.35 | Joback Calculated Property |
| Cp,gas | 614.51 | J/mol×K | 796.16 | Joback Calculated Property |
| Cp,gas | 625.68 | J/mol×K | 828.97 | Joback Calculated Property |
| Cp,gas | 636.08 | J/mol×K | 861.78 | Joback Calculated Property |
| Cp,gas | 645.74 | J/mol×K | 894.59 | Joback Calculated Property |
| η | [0.0000962; 0.0014409] | Pa×s | [416.58; 697.73] |
|
| η | 0.0014409 | Pa×s | 416.58 | Joback Calculated Property |
| η | 0.0007306 | Pa×s | 463.44 | Joback Calculated Property |
| η | 0.0004197 | Pa×s | 510.30 | Joback Calculated Property |
| η | 0.0002646 | Pa×s | 557.15 | Joback Calculated Property |
| η | 0.0001793 | Pa×s | 604.01 | Joback Calculated Property |
| η | 0.0001284 | Pa×s | 650.87 | Joback Calculated Property |
| η | 0.0000962 | Pa×s | 697.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,2-dichloroethyl neopentyl ester.
Sources
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