- InChI
- InChI=1S/C15H26O2/c1-6-15(5,17)12-8-10-13(2)9-7-11-14(3,4)16/h6-7,10-11,16-17H,1,8-9,12H2,2-5H3/b11-7+,13-10+
- InChI Key
- WPGYCMWKXXCJMW-JPTKLRQTSA-N
- Formula
- C15H26O2
- SMILES
- C=CC(C)(O)CCC=C(C)CC=CC(C)(C)O
- Molecular Weight1
- 238.37
- Other Names
-
- 2,6,10-Trimethyldodeca-3(E),6(E),11-trien-2,10-diol
- 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).
- 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 | 0.7738 | Relay (1.0) Calculated Property | |
| ΔfG° | 47.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -463.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.367 | Crippen Calculated Property | |
| McVol | 221.050 | ml/mol | McGowan Calculated Property |
| Pc | 1915.26 | kPa | Joback Calculated Property |
| Inp | [1648.00; 1650.00] |
|
|
| Inp | 1650.00 | NIST | |
| Inp | 1648.00 | NIST | |
| I | [2407.00; 2484.00] |
|
|
| I | 2484.00 | NIST | |
| I | 2407.00 | NIST | |
| I | 2484.00 | NIST | |
| Tboil | 562.06 | K | Relay (1.0) Calculated Property |
| Tc | 744.37 | K | Relay (1.0) Calculated Property |
| Tfus | 325.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.789 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [641.25; 712.86] | J/mol×K | [725.38; 907.79] |
|
| Cp,gas | 641.25 | J/mol×K | 725.38 | Joback Calculated Property |
| Cp,gas | 654.70 | J/mol×K | 755.78 | Joback Calculated Property |
| Cp,gas | 667.44 | J/mol×K | 786.18 | Joback Calculated Property |
| Cp,gas | 679.55 | J/mol×K | 816.58 | Joback Calculated Property |
| Cp,gas | 691.11 | J/mol×K | 846.98 | Joback Calculated Property |
| Cp,gas | 702.18 | J/mol×K | 877.39 | Joback Calculated Property |
| Cp,gas | 712.86 | J/mol×K | 907.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E,E)-Farnesa-1,6,9-trien-3,11-diol.
Sources
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