- InChI
- InChI=1S/C15H24O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,11H,5-6,8,10H2,1-4H3,(H,16,17)/b13-9+,14-11+
- InChI Key
- WJHFZYAELPOJIV-IJFRVEDASA-N
- Formula
- C15H24O2
- SMILES
- CC(C)=CCCC(C)=CCCC(C)=CC(=O)O
- Molecular Weight1
- 236.35
- CAS
- 7548-13-2
- Other Names
-
- (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trienoic acid
- 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.
- 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° | 24.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.52 | kJ/mol | Joback Calculated Property |
| log10WS | -4.76 | Crippen Calculated Property | |
| logPoct/wat | 4.490 | Crippen Calculated Property | |
| McVol | 216.750 | ml/mol | McGowan Calculated Property |
| Pc | 1838.84 | kPa | Joback Calculated Property |
| Inp | 1821.80 | NIST | |
| Tboil | 700.77 | K | Joback Calculated Property |
| Tc | 887.37 | K | Joback Calculated Property |
| Tfus | 312.44 | K | Joback Calculated Property |
| Vc | 0.844 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.65; 670.69] | J/mol×K | [700.77; 887.37] | 
|
| Cp,gas | 594.65 | J/mol×K | 700.77 | Joback Calculated Property |
| Cp,gas | 608.92 | J/mol×K | 731.87 | Joback Calculated Property |
| Cp,gas | 622.47 | J/mol×K | 762.97 | Joback Calculated Property |
| Cp,gas | 635.37 | J/mol×K | 794.07 | Joback Calculated Property |
| Cp,gas | 647.67 | J/mol×K | 825.17 | Joback Calculated Property |
| Cp,gas | 659.42 | J/mol×K | 856.27 | Joback Calculated Property |
| Cp,gas | 670.69 | J/mol×K | 887.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,7,11-Trimethyl-dodeca-2,6,10-trienoic acid.
Sources
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