- InChI
- InChI=1S/C30H46O4/c1-25(2)16-15-23-33-29(31)21-13-5-3-4-6-14-22-30(32)34-28(27-19-11-8-12-20-27)24-26-17-9-7-10-18-26/h8-9,11-12,17,19-20,25-26,28H,3-7,10,13-16,18,21-24H2,1-2H3
- InChI Key
- ALKPWRDTORZZCP-UHFFFAOYSA-N
- Formula
- C30H46O4
- SMILES
-
CC(C)CCCOC(=O)CCCCCCCCC(=O)OC(
CC1C=CCCC1)c1ccccc1 - Molecular Weight1
- 470.68
- 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° | -104.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -814.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.91 | kJ/mol | Joback Calculated Property |
| log10WS | -8.93 | Crippen Calculated Property | |
| logPoct/wat | 8.117 | Crippen Calculated Property | |
| McVol | 409.520 | ml/mol | McGowan Calculated Property |
| Pc | 855.96 | kPa | Joback Calculated Property |
| Inp | 3450.00 | NIST | |
| Tboil | 1082.89 | K | Joback Calculated Property |
| Tc | 1327.11 | K | Joback Calculated Property |
| Tfus | 576.74 | K | Joback Calculated Property |
| Vc | 1.562 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1457.82; 1527.54] | J/mol×K | [1082.89; 1327.11] | 
|
| Cp,gas | 1457.82 | J/mol×K | 1082.89 | Joback Calculated Property |
| Cp,gas | 1473.98 | J/mol×K | 1123.59 | Joback Calculated Property |
| Cp,gas | 1488.19 | J/mol×K | 1164.30 | Joback Calculated Property |
| Cp,gas | 1500.55 | J/mol×K | 1205.00 | Joback Calculated Property |
| Cp,gas | 1511.15 | J/mol×K | 1245.70 | Joback Calculated Property |
| Cp,gas | 1520.11 | J/mol×K | 1286.41 | Joback Calculated Property |
| Cp,gas | 1527.54 | J/mol×K | 1327.11 | Joback Calculated Property |
| η | [0.0000110; 0.0002844] | Pa×s | [576.74; 1082.89] |
|
| η | 0.0002844 | Pa×s | 576.74 | Joback Calculated Property |
| η | 0.0001171 | Pa×s | 661.10 | Joback Calculated Property |
| η | 0.0000590 | Pa×s | 745.46 | Joback Calculated Property |
| η | 0.0000341 | Pa×s | 829.81 | Joback Calculated Property |
| η | 0.0000219 | Pa×s | 914.17 | Joback Calculated Property |
| η | 0.0000151 | Pa×s | 998.53 | Joback Calculated Property |
| η | 0.0000110 | Pa×s | 1082.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl isohexyl ester.
Sources
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