- InChI
- InChI=1S/C16H28/c1-7-16(6)10-8-9-13(4)15(16)11-14(5)12(2)3/h14H,2,7-11H2,1,3-6H3
- InChI Key
- ZRINCZUYERVHLK-UHFFFAOYSA-N
- Formula
- C16H28
- SMILES
- C=C(C)C(C)CC1=C(C)CCCC1(C)CC
- Molecular Weight1
- 220.39
- 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).
- 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° | 190.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.13 | kJ/mol | Joback Calculated Property |
| log10WS | -5.64 | Crippen Calculated Property | |
| logPoct/wat | 5.505 | Crippen Calculated Property | |
| McVol | 216.840 | ml/mol | McGowan Calculated Property |
| Pc | 1675.53 | kPa | Joback Calculated Property |
| Inp | [1519.50; 1519.50] |
|
|
| Inp | 1519.50 | NIST | |
| Inp | 1519.50 | NIST | |
| I | 1702.00 | NIST | |
| Tboil | 590.51 | K | Joback Calculated Property |
| Tc | 794.95 | K | Joback Calculated Property |
| Tfus | 296.44 | K | Joback Calculated Property |
| Vc | 0.825 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.20; 677.99] | J/mol×K | [590.51; 794.95] |
|
| Cp,gas | 564.20 | J/mol×K | 590.51 | Joback Calculated Property |
| Cp,gas | 585.59 | J/mol×K | 624.58 | Joback Calculated Property |
| Cp,gas | 605.86 | J/mol×K | 658.66 | Joback Calculated Property |
| Cp,gas | 625.13 | J/mol×K | 692.73 | Joback Calculated Property |
| Cp,gas | 643.50 | J/mol×K | 726.81 | Joback Calculated Property |
| Cp,gas | 661.08 | J/mol×K | 760.88 | Joback Calculated Property |
| Cp,gas | 677.99 | J/mol×K | 794.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-selina-4,11-diene.
Sources
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