- InChI
- InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3
- InChI Key
- BOTWFXYSPFMFNR-UHFFFAOYSA-N
- Formula
- C20H40O
- SMILES
- CC(=CCO)CCCC(C)CCCC(C)CCCC(C)C
- Molecular Weight1
- 296.53
- CAS
- 102608-53-7
- Other Names
-
- 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl
- 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.
- 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 |
|---|---|---|---|
| ω | 0.8980 | Relay (... Calculated Property | |
| ΔfG° | 45.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -598.98 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.46 | kJ/mol | Relay (... Calculated Property |
| IE | 8.79 | eV | Relay (... Calculated Property |
| log10WS | -6.99 | Relay (... Calculated Property | |
| logPoct/wat | 6.364 | Crippen Calculated Property | |
| McVol | 294.230 | ml/mol | McGowan Calculated Property |
| Pc | 1137.50 | kPa | Joback Calculated Property |
| Inp | [2114.00; 2119.33] |
|
|
| Inp | 2119.33 | NIST | |
| Inp | 2116.00 | NIST | |
| Inp | 2114.00 | NIST | |
| Inp | 2119.33 | NIST | |
| Tboil | 612.67 | K | Relay (... Calculated Property |
| Tc | 790.57 | K | Relay (... Calculated Property |
| Tfus | 263.31 | K | Relay (... Calculated Property |
| Vc | 1.060 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [904.37; 1005.95] | J/mol×K | [751.90; 926.94] |
|
| Cp,gas | 904.37 | J/mol×K | 751.90 | Joback Calculated Property |
| Cp,gas | 923.39 | J/mol×K | 781.07 | Joback Calculated Property |
| Cp,gas | 941.52 | J/mol×K | 810.25 | Joback Calculated Property |
| Cp,gas | 958.79 | J/mol×K | 839.42 | Joback Calculated Property |
| Cp,gas | 975.26 | J/mol×K | 868.59 | Joback Calculated Property |
| Cp,gas | 990.97 | J/mol×K | 897.76 | Joback Calculated Property |
| Cp,gas | 1005.95 | J/mol×K | 926.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,7,11,15-Tetramethyl-2-hexadecen-1-ol.
Sources
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