- InChI
- InChI=1S/C15H26O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h12-14,16H,1,4-10H2,2-3H3
- InChI Key
- YFKUAXRWMHKXSN-UHFFFAOYSA-N
- Formula
- C15H26O
- SMILES
- C=C(CO)C1CCC2CCCC(C)C2(C)C1
- Molecular Weight1
- 222.37
- 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 | 0.5638 | Relay (1.0) Calculated Property | |
| ΔfG° | 70.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -308.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.778 | Crippen Calculated Property | |
| McVol | 202.060 | ml/mol | McGowan Calculated Property |
| Pc | 2104.20 | kPa | Joback Calculated Property |
| Inp | [1623.00; 1623.00] |
|
|
| Inp | 1623.00 | NIST | |
| Inp | 1623.00 | NIST | |
| I | 2193.00 | NIST | |
| Tboil | 586.55 | K | Relay (1.0) Calculated Property |
| Tc | 817.08 | K | Relay (1.0) Calculated Property |
| Tfus | 352.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.667 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [596.68; 706.14] | J/mol×K | [652.80; 858.50] |
|
| Cp,gas | 596.68 | J/mol×K | 652.80 | Joback Calculated Property |
| Cp,gas | 617.20 | J/mol×K | 687.08 | Joback Calculated Property |
| Cp,gas | 636.65 | J/mol×K | 721.37 | Joback Calculated Property |
| Cp,gas | 655.14 | J/mol×K | 755.65 | Joback Calculated Property |
| Cp,gas | 672.80 | J/mol×K | 789.93 | Joback Calculated Property |
| Cp,gas | 689.76 | J/mol×K | 824.21 | Joback Calculated Property |
| Cp,gas | 706.14 | J/mol×K | 858.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «DELTA»-9,10-Eremophilen-11-ol.
Sources
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