- InChI
- InChI=1S/C23H36O5/c1-19(2)11-10-18-27-22(24)12-8-6-4-5-7-9-13-23(25)28-21-16-14-20(26-3)15-17-21/h14-17,19H,4-13,18H2,1-3H3
- InChI Key
- BIHCQNWOSIRHLC-UHFFFAOYSA-N
- Formula
- C23H36O5
- SMILES
-
COc1ccc(OC(=O)CCCCCCCCC(=O)OCC
CC(C)C)cc1 - Molecular Weight1
- 392.53
- 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 | 1.1247 | Relay (1.0) Calculated Property | |
| ΔfG° | -329.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1028.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.701 | Crippen Calculated Property | |
| McVol | 331.920 | ml/mol | McGowan Calculated Property |
| Pc | 1091.38 | kPa | Joback Calculated Property |
| Inp | [3003.00; 3003.00] |
|
|
| Inp | 3003.00 | NIST | |
| Inp | 3003.00 | NIST | |
| Tboil | 669.96 | K | Relay (1.0) Calculated Property |
| Tc | 865.55 | K | Relay (1.0) Calculated Property |
| Tfus | 325.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.238 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1088.27; 1164.02] | J/mol×K | [931.86; 1141.96] |
|
| Cp,gas | 1088.27 | J/mol×K | 931.86 | Joback Calculated Property |
| Cp,gas | 1104.46 | J/mol×K | 966.88 | Joback Calculated Property |
| Cp,gas | 1119.19 | J/mol×K | 1001.89 | Joback Calculated Property |
| Cp,gas | 1132.49 | J/mol×K | 1036.91 | Joback Calculated Property |
| Cp,gas | 1144.38 | J/mol×K | 1071.93 | Joback Calculated Property |
| Cp,gas | 1154.88 | J/mol×K | 1106.95 | Joback Calculated Property |
| Cp,gas | 1164.02 | J/mol×K | 1141.96 | Joback Calculated Property |
| η | [0.0000242; 0.0003316] | Pa×s | [539.46; 931.86] |
|
| η | 0.0003316 | Pa×s | 539.46 | Joback Calculated Property |
| η | 0.0001693 | Pa×s | 604.86 | Joback Calculated Property |
| η | 0.0000985 | Pa×s | 670.26 | Joback Calculated Property |
| η | 0.0000631 | Pa×s | 735.66 | Joback Calculated Property |
| η | 0.0000435 | Pa×s | 801.06 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 866.46 | Joback Calculated Property |
| η | 0.0000242 | Pa×s | 931.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isohexyl 4-methoxyphenyl ester.
Sources
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