- InChI
- InChI=1S/C28H42O4/c1-23(2)22-31-27(29)19-13-5-3-4-6-14-20-28(30)32-26(25-17-11-8-12-18-25)21-24-15-9-7-10-16-24/h8-9,11-12,15,17-18,23-24,26H,3-7,10,13-14,16,19-22H2,1-2H3
- InChI Key
- UWCLDSINFMYUNH-UHFFFAOYSA-N
- Formula
- C28H42O4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)OC(CC
1C=CCCC1)c1ccccc1 - Molecular Weight1
- 442.63
- 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° | -121.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -772.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.45 | kJ/mol | Joback Calculated Property |
| log10WS | -8.10 | Crippen Calculated Property | |
| logPoct/wat | 7.337 | Crippen Calculated Property | |
| McVol | 381.340 | ml/mol | McGowan Calculated Property |
| Pc | 960.88 | kPa | Joback Calculated Property |
| Inp | 3238.00 | NIST | |
| Tboil | 1037.13 | K | Joback Calculated Property |
| Tc | 1269.86 | K | Joback Calculated Property |
| Tfus | 554.20 | K | Joback Calculated Property |
| Vc | 1.450 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1332.42; 1403.92] | J/mol×K | [1037.13; 1269.86] | 
|
| Cp,gas | 1332.42 | J/mol×K | 1037.13 | Joback Calculated Property |
| Cp,gas | 1348.54 | J/mol×K | 1075.92 | Joback Calculated Property |
| Cp,gas | 1362.87 | J/mol×K | 1114.71 | Joback Calculated Property |
| Cp,gas | 1375.50 | J/mol×K | 1153.50 | Joback Calculated Property |
| Cp,gas | 1386.49 | J/mol×K | 1192.29 | Joback Calculated Property |
| Cp,gas | 1395.94 | J/mol×K | 1231.08 | Joback Calculated Property |
| Cp,gas | 1403.92 | J/mol×K | 1269.86 | Joback Calculated Property |
| η | [0.0000152; 0.0003761] | Pa×s | [554.20; 1037.13] |
|
| η | 0.0003761 | Pa×s | 554.20 | Joback Calculated Property |
| η | 0.0001569 | Pa×s | 634.69 | Joback Calculated Property |
| η | 0.0000797 | Pa×s | 715.18 | Joback Calculated Property |
| η | 0.0000464 | Pa×s | 795.67 | Joback Calculated Property |
| η | 0.0000299 | Pa×s | 876.15 | Joback Calculated Property |
| η | 0.0000207 | Pa×s | 956.64 | Joback Calculated Property |
| η | 0.0000152 | Pa×s | 1037.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl isobutyl ester.
Sources
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