- InChI
- InChI=1S/C22H33ClO5/c1-2-3-16-27-21(24)14-8-6-4-5-7-9-15-22(25)28-18-17-26-20-13-11-10-12-19(20)23/h10-13H,2-9,14-18H2,1H3
- InChI Key
- DKUUCRFWZTZCLP-UHFFFAOYSA-N
- Formula
- C22H33ClO5
- SMILES
-
CCCCOC(=O)CCCCCCCCC(=O)OCCOc1c
cccc1Cl - 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° | -347.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -909.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.61 | kJ/mol | Joback Calculated Property |
| log10WS | -6.28 | Crippen Calculated Property | |
| logPoct/wat | 5.726 | Crippen Calculated Property | |
| McVol | 330.070 | ml/mol | McGowan Calculated Property |
| Pc | 1129.10 | kPa | Joback Calculated Property |
| Inp | [2858.00; 2858.00] |
|
|
| Inp | 2858.00 | NIST | |
| Inp | 2858.00 | NIST | |
| Tboil | 946.85 | K | Joback Calculated Property |
| Tc | 1160.06 | K | Joback Calculated Property |
| Tfus | 573.11 | K | Joback Calculated Property |
| Vc | 1.274 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1053.04; 1120.79] | J/mol×K | [946.85; 1160.06] |
|
| Cp,gas | 1053.04 | J/mol×K | 946.85 | Joback Calculated Property |
| Cp,gas | 1067.79 | J/mol×K | 982.38 | Joback Calculated Property |
| Cp,gas | 1081.12 | J/mol×K | 1017.92 | Joback Calculated Property |
| Cp,gas | 1093.07 | J/mol×K | 1053.45 | Joback Calculated Property |
| Cp,gas | 1103.65 | J/mol×K | 1088.99 | Joback Calculated Property |
| Cp,gas | 1112.89 | J/mol×K | 1124.52 | Joback Calculated Property |
| Cp,gas | 1120.79 | J/mol×K | 1160.06 | Joback Calculated Property |
| η | [0.0000260; 0.0002696] | Pa×s | [573.11; 946.85] |
|
| η | 0.0002696 | Pa×s | 573.11 | Joback Calculated Property |
| η | 0.0001509 | Pa×s | 635.40 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 697.69 | Joback Calculated Property |
| η | 0.0000629 | Pa×s | 759.98 | Joback Calculated Property |
| η | 0.0000448 | Pa×s | 822.27 | Joback Calculated Property |
| η | 0.0000335 | Pa×s | 884.56 | Joback Calculated Property |
| η | 0.0000260 | Pa×s | 946.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, butyl 2-(2-chlorophenoxy)ethyl ester.
Sources
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