- InChI
- InChI=1S/C16H18Cl4O4/c1-9(2)8-23-12(21)5-3-4-6-13(22)24-16-11(18)7-10(17)14(19)15(16)20/h7,9H,3-6,8H2,1-2H3
- InChI Key
- OEIYIGJYELNGHE-UHFFFAOYSA-N
- Formula
- C16H18Cl4O4
- SMILES
-
CC(C)COC(=O)CCCCC(=O)Oc1c(Cl)c
c(Cl)c(Cl)c1Cl - Molecular Weight1
- 416.12
- 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° | -360.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -740.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.60 | kJ/mol | Joback Calculated Property |
| log10WS | -6.50 | Crippen Calculated Property | |
| logPoct/wat | 5.965 | Crippen Calculated Property | |
| McVol | 276.380 | ml/mol | McGowan Calculated Property |
| Pc | 1561.05 | kPa | Joback Calculated Property |
| Inp | [2659.00; 2659.00] |
|
|
| Inp | 2659.00 | NIST | |
| Inp | 2659.00 | NIST | |
| Tboil | 913.94 | K | Joback Calculated Property |
| Tc | 1136.40 | K | Joback Calculated Property |
| Tfus | 595.58 | K | Joback Calculated Property |
| Vc | 1.062 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [740.33; 786.29] | J/mol×K | [913.94; 1136.40] |
|
| Cp,gas | 740.33 | J/mol×K | 913.94 | Joback Calculated Property |
| Cp,gas | 750.72 | J/mol×K | 951.02 | Joback Calculated Property |
| Cp,gas | 760.00 | J/mol×K | 988.09 | Joback Calculated Property |
| Cp,gas | 768.20 | J/mol×K | 1025.17 | Joback Calculated Property |
| Cp,gas | 775.31 | J/mol×K | 1062.25 | Joback Calculated Property |
| Cp,gas | 781.34 | J/mol×K | 1099.33 | Joback Calculated Property |
| Cp,gas | 786.29 | J/mol×K | 1136.40 | Joback Calculated Property |
| η | [0.0000507; 0.0003117] | Pa×s | [595.58; 913.94] |
|
| η | 0.0003117 | Pa×s | 595.58 | Joback Calculated Property |
| η | 0.0002035 | Pa×s | 648.64 | Joback Calculated Property |
| η | 0.0001417 | Pa×s | 701.70 | Joback Calculated Property |
| η | 0.0001038 | Pa×s | 754.76 | Joback Calculated Property |
| η | 0.0000792 | Pa×s | 807.82 | Joback Calculated Property |
| η | 0.0000625 | Pa×s | 860.88 | Joback Calculated Property |
| η | 0.0000507 | Pa×s | 913.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, isobutyl 2,3,4,6-tetrachlorophenyl ester.
Sources
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