- InChI
- InChI=1S/C20H29ClO4/c1-16(2)15-24-19(22)9-7-5-3-4-6-8-10-20(23)25-18-13-11-17(21)12-14-18/h11-14,16H,3-10,15H2,1-2H3
- InChI Key
- STWAQESNFGZCHB-UHFFFAOYSA-N
- Formula
- C20H29ClO4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)Oc1cc
c(Cl)cc1 - Molecular Weight1
- 368.89
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -883.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.565 | Crippen Calculated Property | |
| McVol | 296.020 | ml/mol | McGowan Calculated Property |
| Pc | 1238.96 | kPa | Joback Calculated Property |
| Inp | 2715.00 | NIST | |
| Tboil | 648.63 | K | Relay (1.0) Calculated Property |
| Tc | 850.42 | K | Relay (1.0) Calculated Property |
| Tfus | 317.75 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [893.16; 967.19] | J/mol×K | [842.29; 1043.90] | 
|
| Cp,gas | 893.16 | J/mol×K | 842.29 | Joback Calculated Property |
| Cp,gas | 908.47 | J/mol×K | 875.89 | Joback Calculated Property |
| Cp,gas | 922.56 | J/mol×K | 909.49 | Joback Calculated Property |
| Cp,gas | 935.44 | J/mol×K | 943.10 | Joback Calculated Property |
| Cp,gas | 947.16 | J/mol×K | 976.70 | Joback Calculated Property |
| Cp,gas | 957.73 | J/mol×K | 1010.30 | Joback Calculated Property |
| Cp,gas | 967.19 | J/mol×K | 1043.90 | Joback Calculated Property |
| η | [0.0000334; 0.0008346] | Pa×s | [453.68; 842.29] |
|
| η | 0.0008346 | Pa×s | 453.68 | Joback Calculated Property |
| η | 0.0003492 | Pa×s | 518.45 | Joback Calculated Property |
| η | 0.0001773 | Pa×s | 583.22 | Joback Calculated Property |
| η | 0.0001031 | Pa×s | 647.99 | Joback Calculated Property |
| η | 0.0000661 | Pa×s | 712.75 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 777.52 | Joback Calculated Property |
| η | 0.0000334 | Pa×s | 842.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 4-chlorophenyl isobutyl ester.
Sources
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