- InChI
- InChI=1S/C22H33ClO5/c1-18(2)17-28-22(25)14-8-6-4-3-5-7-13-21(24)27-16-15-26-20-12-10-9-11-19(20)23/h9-12,18H,3-8,13-17H2,1-2H3
- InChI Key
- ONYCQUXOFUKVRV-UHFFFAOYSA-N
- Formula
- C22H33ClO5
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)OCCOc
1ccccc1Cl - Molecular Weight1
- 412.95
- 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° | -350.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -915.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.22 | kJ/mol | Joback Calculated Property |
| log10WS | -6.04 | Crippen Calculated Property | |
| logPoct/wat | 5.582 | Crippen Calculated Property | |
| McVol | 330.070 | ml/mol | McGowan Calculated Property |
| Pc | 1135.20 | kPa | Joback Calculated Property |
| Inp | [2823.00; 2823.00] |
|
|
| Inp | 2823.00 | NIST | |
| Inp | 2823.00 | NIST | |
| Tboil | 946.41 | K | Joback Calculated Property |
| Tc | 1160.10 | K | Joback Calculated Property |
| Tfus | 558.11 | K | Joback Calculated Property |
| Vc | 1.268 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1053.48; 1120.90] | J/mol×K | [946.41; 1160.10] |
|
| Cp,gas | 1053.48 | J/mol×K | 946.41 | Joback Calculated Property |
| Cp,gas | 1068.22 | J/mol×K | 982.02 | Joback Calculated Property |
| Cp,gas | 1081.53 | J/mol×K | 1017.64 | Joback Calculated Property |
| Cp,gas | 1093.43 | J/mol×K | 1053.25 | Joback Calculated Property |
| Cp,gas | 1103.94 | J/mol×K | 1088.87 | Joback Calculated Property |
| Cp,gas | 1113.09 | J/mol×K | 1124.48 | Joback Calculated Property |
| Cp,gas | 1120.90 | J/mol×K | 1160.10 | Joback Calculated Property |
| η | [0.0000237; 0.0002959] | Pa×s | [558.11; 946.41] |
|
| η | 0.0002959 | Pa×s | 558.11 | Joback Calculated Property |
| η | 0.0001562 | Pa×s | 622.83 | Joback Calculated Property |
| η | 0.0000930 | Pa×s | 687.54 | Joback Calculated Property |
| η | 0.0000605 | Pa×s | 752.26 | Joback Calculated Property |
| η | 0.0000422 | Pa×s | 816.98 | Joback Calculated Property |
| η | 0.0000310 | Pa×s | 881.69 | Joback Calculated Property |
| η | 0.0000237 | Pa×s | 946.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-(2-chlorophenoxy)ethyl isobutyl ester.
Sources
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