- InChI
- InChI=1S/C22H33ClO4/c1-18(2)17-27-22(25)10-8-6-4-3-5-7-9-21(24)26-16-15-19-11-13-20(23)14-12-19/h11-14,18H,3-10,15-17H2,1-2H3
- InChI Key
- AHWRGQHIHLBGQC-UHFFFAOYSA-N
- Formula
- C22H33ClO4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)OCCc1
ccc(Cl)cc1 - Molecular Weight1
- 396.95
- 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).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -923.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.65 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.746 | Crippen Calculated Property | |
| McVol | 324.200 | ml/mol | McGowan Calculated Property |
| Pc | 1087.06 | kPa | Joback Calculated Property |
| Inp | [2778.00; 2778.00] |
|
|
| Inp | 2778.00 | NIST | |
| Inp | 2778.00 | NIST | |
| Tboil | 671.87 | K | Relay (1.0) Calculated Property |
| Tc | 860.88 | K | Relay (1.0) Calculated Property |
| Tfus | 297.91 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [1011.48; 1085.84] | J/mol×K | [888.05; 1092.35] |
|
| Cp,gas | 1011.48 | J/mol×K | 888.05 | Joback Calculated Property |
| Cp,gas | 1027.06 | J/mol×K | 922.10 | Joback Calculated Property |
| Cp,gas | 1041.32 | J/mol×K | 956.15 | Joback Calculated Property |
| Cp,gas | 1054.29 | J/mol×K | 990.20 | Joback Calculated Property |
| Cp,gas | 1066.01 | J/mol×K | 1024.25 | Joback Calculated Property |
| Cp,gas | 1076.52 | J/mol×K | 1058.30 | Joback Calculated Property |
| Cp,gas | 1085.84 | J/mol×K | 1092.35 | Joback Calculated Property |
| η | [0.0000246; 0.0006439] | Pa×s | [476.22; 888.05] |
|
| η | 0.0006439 | Pa×s | 476.22 | Joback Calculated Property |
| η | 0.0002653 | Pa×s | 544.86 | Joback Calculated Property |
| η | 0.0001333 | Pa×s | 613.50 | Joback Calculated Property |
| η | 0.0000769 | Pa×s | 682.13 | Joback Calculated Property |
| η | 0.0000491 | Pa×s | 750.77 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 819.41 | Joback Calculated Property |
| η | 0.0000246 | Pa×s | 888.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 4-chlorophenethyl isobutyl ester.
Sources
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