- InChI
- InChI=1S/C15H28O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h11-13,16H,5-10H2,1-4H3/t11?,12-,13+,15-/m0/s1
- InChI Key
- YJHVMPKSUPGGPZ-FLTXBFBQSA-N
- Formula
- C15H28O
- SMILES
- CC1CCCC2(C)CCC(C(C)(C)O)CC12
- Molecular Weight1
- 224.38
- 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° | -6.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.11 | kJ/mol | Joback Calculated Property |
| log10WS | -4.30 | Crippen Calculated Property | |
| logPoct/wat | 4.000 | Crippen Calculated Property | |
| McVol | 206.360 | ml/mol | McGowan Calculated Property |
| Pc | 2051.17 | kPa | Joback Calculated Property |
| Inp | [1731.00; 1731.00] |
|
|
| Inp | 1731.00 | NIST | |
| Inp | 1731.00 | NIST | |
| Tboil | 653.01 | K | Joback Calculated Property |
| Tc | 862.60 | K | Joback Calculated Property |
| Tfus | 359.27 | K | Joback Calculated Property |
| Vc | 0.761 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [622.48; 736.91] | J/mol×K | [653.01; 862.60] |
|
| Cp,gas | 622.48 | J/mol×K | 653.01 | Joback Calculated Property |
| Cp,gas | 644.09 | J/mol×K | 687.94 | Joback Calculated Property |
| Cp,gas | 664.49 | J/mol×K | 722.87 | Joback Calculated Property |
| Cp,gas | 683.82 | J/mol×K | 757.80 | Joback Calculated Property |
| Cp,gas | 702.24 | J/mol×K | 792.74 | Joback Calculated Property |
| Cp,gas | 719.89 | J/mol×K | 827.67 | Joback Calculated Property |
| Cp,gas | 736.91 | J/mol×K | 862.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dehydroeudesmol.
Sources
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