- InChI
- InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,14+,15-/m1/s1
- InChI Key
- DPQYOKVMVCQHMY-APIJFGDWSA-N
- Formula
- C15H26O
- SMILES
- C=C(C)C1CCC2(C)CCCC(C)(O)C2C1
- Molecular Weight1
- 222.37
- 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° | 64.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -278.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.67 | kJ/mol | Joback Calculated Property |
| log10WS | -4.39 | Crippen Calculated Property | |
| logPoct/wat | 3.920 | Crippen Calculated Property | |
| McVol | 202.060 | ml/mol | McGowan Calculated Property |
| Pc | 2193.84 | kPa | Joback Calculated Property |
| Inp | [1600.00; 1600.00] |
|
|
| Inp | 1600.00 | NIST | |
| Inp | 1600.00 | NIST | |
| I | [2154.00; 2154.00] |
|
|
| I | 2154.00 | NIST | |
| I | 2154.00 | NIST | |
| Tboil | 653.04 | K | Joback Calculated Property |
| Tc | 865.92 | K | Joback Calculated Property |
| Tfus | 365.03 | K | Joback Calculated Property |
| Vc | 0.752 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.33; 706.54] | J/mol×K | [653.04; 865.92] |
|
| Cp,gas | 593.33 | J/mol×K | 653.04 | Joback Calculated Property |
| Cp,gas | 613.82 | J/mol×K | 688.52 | Joback Calculated Property |
| Cp,gas | 633.38 | J/mol×K | 724.00 | Joback Calculated Property |
| Cp,gas | 652.21 | J/mol×K | 759.48 | Joback Calculated Property |
| Cp,gas | 670.53 | J/mol×K | 794.96 | Joback Calculated Property |
| Cp,gas | 688.57 | J/mol×K | 830.44 | Joback Calculated Property |
| Cp,gas | 706.54 | J/mol×K | 865.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-epi-Paradisol.
Sources
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