- InChI
- InChI=1S/C34H66O4/c1-4-7-9-10-11-12-13-14-15-16-17-20-23-27-31-37-33(35)29-25-21-18-19-22-26-30-34(36)38-32(6-3)28-24-8-5-2/h32H,4-31H2,1-3H3
- InChI Key
- XPEDMVIWNHHRTA-UHFFFAOYSA-N
- Formula
- C34H66O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCCCCC
C(=O)OC(CC)CCCCC - Molecular Weight1
- 538.89
- 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° | -234.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1239.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 85.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.20 | kJ/mol | Joback Calculated Property |
| log10WS | -11.89 | Crippen Calculated Property | |
| logPoct/wat | 11.034 | Crippen Calculated Property | |
| McVol | 504.800 | ml/mol | McGowan Calculated Property |
| Pc | 520.78 | kPa | Joback Calculated Property |
| Inp | [3365.00; 3365.00] |
|
|
| Inp | 3365.00 | NIST | |
| Inp | 3365.00 | NIST | |
| Tboil | 1129.46 | K | Joback Calculated Property |
| Tc | 1465.72 | K | Joback Calculated Property |
| Tfus | 602.26 | K | Joback Calculated Property |
| Vc | 1.982 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1869.01; 1980.37] | J/mol×K | [1129.46; 1465.72] |
|
| Cp,gas | 1869.01 | J/mol×K | 1129.46 | Joback Calculated Property |
| Cp,gas | 1896.47 | J/mol×K | 1185.50 | Joback Calculated Property |
| Cp,gas | 1920.00 | J/mol×K | 1241.55 | Joback Calculated Property |
| Cp,gas | 1939.87 | J/mol×K | 1297.59 | Joback Calculated Property |
| Cp,gas | 1956.37 | J/mol×K | 1353.64 | Joback Calculated Property |
| Cp,gas | 1969.78 | J/mol×K | 1409.68 | Joback Calculated Property |
| Cp,gas | 1980.37 | J/mol×K | 1465.72 | Joback Calculated Property |
| η | [0.0000054; 0.0001493] | Pa×s | [602.26; 1129.46] |
|
| η | 0.0001493 | Pa×s | 602.26 | Joback Calculated Property |
| η | 0.0000603 | Pa×s | 690.13 | Joback Calculated Property |
| η | 0.0000299 | Pa×s | 777.99 | Joback Calculated Property |
| η | 0.0000171 | Pa×s | 865.86 | Joback Calculated Property |
| η | 0.0000108 | Pa×s | 953.73 | Joback Calculated Property |
| η | 0.0000074 | Pa×s | 1041.59 | Joback Calculated Property |
| η | 0.0000054 | Pa×s | 1129.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, hexadecyl oct-3-yl ester.
Sources
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