- 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
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7026 | Relay (... Calculated Property | |
| ΔfG° | 631.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -308.37 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 66.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.05 | kJ/mol | Relay (... Calculated Property |
| IE | 7.63 | eV | Relay (... Calculated Property |
| log10WS | -9.04 | Relay (... 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 | 650.21 | K | Relay (... Calculated Property |
| Tc | 817.58 | K | Relay (... Calculated Property |
| Tfus | 244.97 | K | Relay (... Calculated Property |
| Vc | 1.429 | m3/kmol | Relay (... 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
- Cheméo Relay (1.0)
- 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.