- InChI
- InChI=1S/C15H24O/c1-6-15(5)8-7-13(11(2)3)9-14(15)12(4)10-16/h6,10,12-14H,1-2,7-9H2,3-5H3/t12?,13-,14+,15-/m0/s1
- InChI Key
- DFDSCTULEHLJOC-DKUMPPAJSA-N
- Formula
- C15H24O
- SMILES
- C=CC1(C)CCC(C(=C)C)CC1C(C)C=O
- Molecular Weight1
- 220.35
- 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° | 144.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -173.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.72 | kJ/mol | Joback Calculated Property |
| log10WS | -4.02 | Crippen Calculated Property | |
| logPoct/wat | 4.006 | Crippen Calculated Property | |
| McVol | 204.320 | ml/mol | McGowan Calculated Property |
| Pc | 1885.44 | kPa | Joback Calculated Property |
| Inp | 1560.00 | NIST | |
| Tboil | 594.51 | K | Joback Calculated Property |
| Tc | 805.19 | K | Joback Calculated Property |
| Tfus | 291.13 | K | Joback Calculated Property |
| Vc | 0.778 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [539.89; 650.59] | J/mol×K | [594.51; 805.19] | 
|
| Cp,gas | 539.89 | J/mol×K | 594.51 | Joback Calculated Property |
| Cp,gas | 560.94 | J/mol×K | 629.62 | Joback Calculated Property |
| Cp,gas | 580.79 | J/mol×K | 664.74 | Joback Calculated Property |
| Cp,gas | 599.56 | J/mol×K | 699.85 | Joback Calculated Property |
| Cp,gas | 617.38 | J/mol×K | 734.96 | Joback Calculated Property |
| Cp,gas | 634.35 | J/mol×K | 770.07 | Joback Calculated Property |
| Cp,gas | 650.59 | J/mol×K | 805.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Elema-1,11-dien-15-al, epimer b.
Sources
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