- InChI
- InChI=1S/C16H28Cl2O4/c1-2-3-4-5-6-9-12-21-15(19)10-7-8-11-16(20)22-13-14(17)18/h14H,2-13H2,1H3
- InChI Key
- FVTKGENJJVDTOL-UHFFFAOYSA-N
- Formula
- C16H28Cl2O4
- SMILES
-
CCCCCCCCOC(=O)CCCCC(=O)OCC(Cl)
Cl - Molecular Weight1
- 355.30
- 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 | 0.9386 | Relay (1.0) Calculated Property | |
| ΔfG° | -410.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1029.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.797 | Crippen Calculated Property | |
| McVol | 275.660 | ml/mol | McGowan Calculated Property |
| Pc | 1343.73 | kPa | Joback Calculated Property |
| Inp | [2297.00; 2297.00] |
|
|
| Inp | 2297.00 | NIST | |
| Inp | 2297.00 | NIST | |
| Tboil | 610.85 | K | Relay (1.0) Calculated Property |
| Tc | 792.71 | K | Relay (1.0) Calculated Property |
| Tfus | 287.27 | K | Relay (1.0) Calculated Property |
| Vc | 1.034 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [794.61; 870.93] | J/mol×K | [792.48; 980.97] |
|
| Cp,gas | 794.61 | J/mol×K | 792.48 | Joback Calculated Property |
| Cp,gas | 809.56 | J/mol×K | 823.89 | Joback Calculated Property |
| Cp,gas | 823.60 | J/mol×K | 855.31 | Joback Calculated Property |
| Cp,gas | 836.74 | J/mol×K | 886.72 | Joback Calculated Property |
| Cp,gas | 849.01 | J/mol×K | 918.14 | Joback Calculated Property |
| Cp,gas | 860.40 | J/mol×K | 949.55 | Joback Calculated Property |
| Cp,gas | 870.93 | J/mol×K | 980.97 | Joback Calculated Property |
| η | [0.0000646; 0.0009489] | Pa×s | [459.24; 792.48] |
|
| η | 0.0009489 | Pa×s | 459.24 | Joback Calculated Property |
| η | 0.0004763 | Pa×s | 514.78 | Joback Calculated Property |
| η | 0.0002734 | Pa×s | 570.32 | Joback Calculated Property |
| η | 0.0001732 | Pa×s | 625.86 | Joback Calculated Property |
| η | 0.0001182 | Pa×s | 681.40 | Joback Calculated Property |
| η | 0.0000854 | Pa×s | 736.94 | Joback Calculated Property |
| η | 0.0000646 | Pa×s | 792.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 2,2-dichloroethyl octyl ester.
Sources
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