- InChI
- InChI=1S/C22H41ClO4/c1-20(2)19-27-22(25)16-12-8-4-3-7-11-15-21(24)26-18-14-10-6-5-9-13-17-23/h20H,3-19H2,1-2H3
- InChI Key
- SZXZYYKOCPREHD-UHFFFAOYSA-N
- Formula
- C22H41ClO4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)OCCCC
CCCCCl - Molecular Weight1
- 405.01
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1308 | Relay (1.0) Calculated Property | |
| ΔfG° | -347.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1153.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.429 | Crippen Calculated Property | |
| McVol | 347.960 | ml/mol | McGowan Calculated Property |
| Pc | 936.92 | kPa | Joback Calculated Property |
| Inp | [2847.00; 2847.00] |
|
|
| Inp | 2847.00 | NIST | |
| Inp | 2847.00 | NIST | |
| Tboil | 638.49 | K | Relay (1.0) Calculated Property |
| Tc | 823.26 | K | Relay (1.0) Calculated Property |
| Tfus | 298.29 | K | Relay (1.0) Calculated Property |
| Vc | 1.325 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1123.91; 1214.70] | J/mol×K | [892.33; 1092.48] |
|
| Cp,gas | 1123.91 | J/mol×K | 892.33 | Joback Calculated Property |
| Cp,gas | 1142.13 | J/mol×K | 925.69 | Joback Calculated Property |
| Cp,gas | 1159.07 | J/mol×K | 959.05 | Joback Calculated Property |
| Cp,gas | 1174.77 | J/mol×K | 992.40 | Joback Calculated Property |
| Cp,gas | 1189.26 | J/mol×K | 1025.76 | Joback Calculated Property |
| Cp,gas | 1202.56 | J/mol×K | 1059.12 | Joback Calculated Property |
| Cp,gas | 1214.70 | J/mol×K | 1092.48 | Joback Calculated Property |
| η | [0.0000308; 0.0005981] | Pa×s | [496.94; 892.33] |
|
| η | 0.0005981 | Pa×s | 496.94 | Joback Calculated Property |
| η | 0.0002731 | Pa×s | 562.84 | Joback Calculated Property |
| η | 0.0001469 | Pa×s | 628.74 | Joback Calculated Property |
| η | 0.0000889 | Pa×s | 694.63 | Joback Calculated Property |
| η | 0.0000587 | Pa×s | 760.53 | Joback Calculated Property |
| η | 0.0000414 | Pa×s | 826.43 | Joback Calculated Property |
| η | 0.0000308 | Pa×s | 892.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 8-chlorooctyl isobutyl ester.
Sources
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