- InChI
- InChI=1S/C22H34O5/c1-4-17-25-21(23)11-9-7-5-6-8-10-12-22(24)27-20-15-13-19(14-16-20)26-18(2)3/h13-16,18H,4-12,17H2,1-3H3
- InChI Key
- YDGMPBPHQGJFDK-UHFFFAOYSA-N
- Formula
- C22H34O5
- SMILES
-
CCCOC(=O)CCCCCCCCC(=O)Oc1ccc(O
C(C)C)cc1 - Molecular Weight1
- 378.50
- 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° | -338.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -899.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.84 | kJ/mol | Joback Calculated Property |
| log10WS | -6.32 | Crippen Calculated Property | |
| logPoct/wat | 5.453 | Crippen Calculated Property | |
| McVol | 317.830 | ml/mol | McGowan Calculated Property |
| Pc | 1164.04 | kPa | Joback Calculated Property |
| Inp | [2708.00; 2708.00] |
|
|
| Inp | 2708.00 | NIST | |
| Inp | 2708.00 | NIST | |
| Tboil | 908.98 | K | Joback Calculated Property |
| Tc | 1115.86 | K | Joback Calculated Property |
| Tfus | 528.19 | K | Joback Calculated Property |
| Vc | 1.220 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1027.47; 1103.44] | J/mol×K | [908.98; 1115.86] |
|
| Cp,gas | 1027.47 | J/mol×K | 908.98 | Joback Calculated Property |
| Cp,gas | 1043.51 | J/mol×K | 943.46 | Joback Calculated Property |
| Cp,gas | 1058.17 | J/mol×K | 977.94 | Joback Calculated Property |
| Cp,gas | 1071.48 | J/mol×K | 1012.42 | Joback Calculated Property |
| Cp,gas | 1083.45 | J/mol×K | 1046.90 | Joback Calculated Property |
| Cp,gas | 1094.10 | J/mol×K | 1081.38 | Joback Calculated Property |
| Cp,gas | 1103.44 | J/mol×K | 1115.86 | Joback Calculated Property |
| η | [0.0000281; 0.0003727] | Pa×s | [528.19; 908.98] |
|
| η | 0.0003727 | Pa×s | 528.19 | Joback Calculated Property |
| η | 0.0001922 | Pa×s | 591.65 | Joback Calculated Property |
| η | 0.0001127 | Pa×s | 655.12 | Joback Calculated Property |
| η | 0.0000726 | Pa×s | 718.59 | Joback Calculated Property |
| η | 0.0000503 | Pa×s | 782.05 | Joback Calculated Property |
| η | 0.0000367 | Pa×s | 845.51 | Joback Calculated Property |
| η | 0.0000281 | Pa×s | 908.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 4-isopropoxyphenyl propyl ester.
Sources
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