- InChI
- InChI=1S/C12H19Cl3O4/c1-2-3-8-18-10(16)6-4-5-7-11(17)19-9-12(13,14)15/h2-9H2,1H3
- InChI Key
- JTPBVPBJYDQUIX-UHFFFAOYSA-N
- Formula
- C12H19Cl3O4
- SMILES
-
CCCCOC(=O)CCCCC(=O)OCC(Cl)(Cl)
Cl - Molecular Weight1
- 333.64
- 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° | -450.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -836.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.48 | kJ/mol | Joback Calculated Property |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 3.803 | Crippen Calculated Property | |
| McVol | 231.540 | ml/mol | McGowan Calculated Property |
| Pc | 1780.34 | kPa | Joback Calculated Property |
| Inp | [1963.00; 1963.00] |
|
|
| Inp | 1963.00 | NIST | |
| Inp | 1963.00 | NIST | |
| Tboil | 735.60 | K | Joback Calculated Property |
| Tc | 933.37 | K | Joback Calculated Property |
| Tfus | 461.50 | K | Joback Calculated Property |
| Vc | 0.891 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.52; 664.35] | J/mol×K | [735.60; 933.37] |
|
| Cp,gas | 601.52 | J/mol×K | 735.60 | Joback Calculated Property |
| Cp,gas | 613.90 | J/mol×K | 768.56 | Joback Calculated Property |
| Cp,gas | 625.49 | J/mol×K | 801.52 | Joback Calculated Property |
| Cp,gas | 636.31 | J/mol×K | 834.49 | Joback Calculated Property |
| Cp,gas | 646.38 | J/mol×K | 867.45 | Joback Calculated Property |
| Cp,gas | 655.72 | J/mol×K | 900.41 | Joback Calculated Property |
| Cp,gas | 664.35 | J/mol×K | 933.37 | Joback Calculated Property |
| η | [0.0000892; 0.0009510] | Pa×s | [461.50; 735.60] |
|
| η | 0.0009510 | Pa×s | 461.50 | Joback Calculated Property |
| η | 0.0005367 | Pa×s | 507.18 | Joback Calculated Property |
| η | 0.0003329 | Pa×s | 552.87 | Joback Calculated Property |
| η | 0.0002221 | Pa×s | 598.55 | Joback Calculated Property |
| η | 0.0001569 | Pa×s | 644.23 | Joback Calculated Property |
| η | 0.0001161 | Pa×s | 689.92 | Joback Calculated Property |
| η | 0.0000892 | Pa×s | 735.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, butyl 2,2,2-trichloroethyl ester.
Sources
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