- InChI
- InChI=1S/C13H21Cl3O4/c1-2-3-6-9-19-11(17)7-4-5-8-12(18)20-10-13(14,15)16/h2-10H2,1H3
- InChI Key
- IOYNASRZSJQINR-UHFFFAOYSA-N
- Formula
- C13H21Cl3O4
- SMILES
-
CCCCCOC(=O)CCCCC(=O)OCC(Cl)(Cl
)Cl - Molecular Weight1
- 347.66
- 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° | -442.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -857.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.70 | kJ/mol | Joback Calculated Property |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 4.194 | Crippen Calculated Property | |
| McVol | 245.630 | ml/mol | McGowan Calculated Property |
| Pc | 1644.42 | kPa | Joback Calculated Property |
| Inp | [2063.00; 2063.00] |
|
|
| Inp | 2063.00 | NIST | |
| Inp | 2063.00 | NIST | |
| Tboil | 758.48 | K | Joback Calculated Property |
| Tc | 955.08 | K | Joback Calculated Property |
| Tfus | 472.77 | K | Joback Calculated Property |
| Vc | 0.948 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.24; 720.23] | J/mol×K | [758.48; 955.08] |
|
| Cp,gas | 655.24 | J/mol×K | 758.48 | Joback Calculated Property |
| Cp,gas | 668.06 | J/mol×K | 791.25 | Joback Calculated Property |
| Cp,gas | 680.05 | J/mol×K | 824.01 | Joback Calculated Property |
| Cp,gas | 691.24 | J/mol×K | 856.78 | Joback Calculated Property |
| Cp,gas | 701.65 | J/mol×K | 889.54 | Joback Calculated Property |
| Cp,gas | 711.30 | J/mol×K | 922.31 | Joback Calculated Property |
| Cp,gas | 720.23 | J/mol×K | 955.08 | Joback Calculated Property |
| η | [0.0000765; 0.0008519] | Pa×s | [472.77; 758.48] |
|
| η | 0.0008519 | Pa×s | 472.77 | Joback Calculated Property |
| η | 0.0004743 | Pa×s | 520.39 | Joback Calculated Property |
| η | 0.0002913 | Pa×s | 568.01 | Joback Calculated Property |
| η | 0.0001929 | Pa×s | 615.62 | Joback Calculated Property |
| η | 0.0001356 | Pa×s | 663.24 | Joback Calculated Property |
| η | 0.0000999 | Pa×s | 710.86 | Joback Calculated Property |
| η | 0.0000765 | Pa×s | 758.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, pentyl 2,2,2-trichloroethyl ester.
Sources
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