- InChI
- InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
- InChI Key
- YYGNTYWPHWGJRM-AAJYLUCBSA-N
- Formula
- C30H50
- SMILES
-
CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C
)CCC=C(C)CCC=C(C)C - Molecular Weight1
- 410.72
- CAS
- 111-02-4
- Other Names
-
- (2E,6E,10E,14E,18E,22E)-2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene
- (6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene
- (All-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene
- (E,E,E,E)-Squalene
- 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (2E,6E,10E,14E,18E)-
- 2,6,10,14,18,22-tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)-
- 2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-Tetracosahexaene
- 2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene-, (all trans)-
- 2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene
- 2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene, (all E)-
- 2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene (all E)
- Nikko Squalane EX
- Spinacen
- Spinacene
- Squalen
- Super Squalene
- Supraene
- all-trans-Squalene
- trans-Spinacene
- trans-Squalene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | 631.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -17.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.60 | kJ/mol | Joback Calculated Property |
| log10WS | -11.50 | Crippen Calculated Property | |
| logPoct/wat | 10.605 | Crippen Calculated Property | |
| McVol | 407.760 | ml/mol | McGowan Calculated Property |
| Pc | 708.84 | kPa | Joback Calculated Property |
| Inp | [2814.00; 2847.10] |
|
|
| Inp | 2847.10 | NIST | |
| Inp | 2835.80 | NIST | |
| Inp | 2833.00 | NIST | |
| Inp | 2814.00 | NIST | |
| Inp | 2819.00 | NIST | |
| Inp | 2832.00 | NIST | |
| Inp | 2847.10 | NIST | |
| I | 2865.00 | NIST | |
| Tboil | 910.04 | K | Joback Calculated Property |
| Tc | 1115.64 | K | Joback Calculated Property |
| Tfus | 313.62 | K | Joback Calculated Property |
| Vc | 1.601 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1321.66; 1455.02] | J/mol×K | [910.04; 1115.64] |
|
| Cp,gas | 1321.66 | J/mol×K | 910.04 | Joback Calculated Property |
| Cp,gas | 1345.18 | J/mol×K | 944.31 | Joback Calculated Property |
| Cp,gas | 1367.98 | J/mol×K | 978.57 | Joback Calculated Property |
| Cp,gas | 1390.21 | J/mol×K | 1012.84 | Joback Calculated Property |
| Cp,gas | 1412.03 | J/mol×K | 1047.11 | Joback Calculated Property |
| Cp,gas | 1433.58 | J/mol×K | 1081.37 | Joback Calculated Property |
| Cp,gas | 1455.02 | J/mol×K | 1115.64 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 558.20 | K | 3.30 | NIST |
Similar Compounds
Find more compounds similar to Squalene.
Mixtures
- Squalene + Carbon dioxide
- Oleic Acid + Squalene + Carbon dioxide
- Squalene + Carbon dioxide + n-Hexadecanoic acid
- Hydrogen + Squalene + Carbon dioxide
Sources
- Crippen Method
- Crippen Method
- Solubility of Squalene and Fatty Acids in Carbon Dioxide at Supercritical Conditions: Binary and Ternary Systems
- High-Pressure Phase Equilibria of the Ternary System Oleic Acid + Squalene + Carbon Dioxide
- High-Pressure Phase Equilibria of Squalene + Carbon Dioxide: New Data and Thermodynamic Modeling
- Solubility of Corosolic Acid in Supercritical Carbon Dioxide and Its Representation Using Density-Based Correlations
- Phase Equilibrium of Hydrogen, Carbon Dioxide, Squalene, and Squalane
- Joback Method
- McGowan Method
- NIST Webbook
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