- InChI
- InChI=1S/C15H24O2/c1-6-14(4,16)9-7-10-15(5)11-8-13(17-15)12(2)3/h6-7,10,13,16H,1-2,8-9,11H2,3-5H3/b10-7+/t13?,14?,15-/m0/s1
- InChI Key
- FYNUDQSLPSFSMZ-HKELBZMOSA-N
- Formula
- C15H24O2
- SMILES
-
C=CC(C)(O)CC=CC1(C)CCC(C(=C)C)
O1 - Molecular Weight1
- 236.35
- 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 | 0.5993 | Relay (... Calculated Property | |
| ΔfG° | 126.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.30 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.32 | kJ/mol | Relay (... Calculated Property |
| IE | 8.83 | eV | Relay (... Calculated Property |
| log10WS | -2.13 | Relay (... Calculated Property | |
| logPoct/wat | 3.383 | Crippen Calculated Property | |
| McVol | 210.190 | ml/mol | McGowan Calculated Property |
| Pc | 2023.58 | kPa | Joback Calculated Property |
| Inp | [1527.00; 1531.00] |
|
|
| Inp | 1527.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1531.00 | NIST | |
| I | [2116.00; 2122.00] |
|
|
| I | 2122.00 | NIST | |
| I | 2116.00 | NIST | |
| I | 2116.00 | NIST | |
| I | 2122.00 | NIST | |
| Tboil | 547.80 | K | Relay (... Calculated Property |
| Tc | 744.11 | K | Relay (... Calculated Property |
| Tfus | 294.72 | K | Relay (... Calculated Property |
| Vc | 0.749 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [596.11; 687.46] | J/mol×K | [666.75; 868.35] |
|
| Cp,gas | 596.11 | J/mol×K | 666.75 | Joback Calculated Property |
| Cp,gas | 613.03 | J/mol×K | 700.35 | Joback Calculated Property |
| Cp,gas | 629.08 | J/mol×K | 733.95 | Joback Calculated Property |
| Cp,gas | 644.41 | J/mol×K | 767.55 | Joback Calculated Property |
| Cp,gas | 659.15 | J/mol×K | 801.15 | Joback Calculated Property |
| Cp,gas | 673.45 | J/mol×K | 834.75 | Joback Calculated Property |
| Cp,gas | 687.46 | J/mol×K | 868.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7,10-Epoxyfarnesa-1,5,11-trien-3-ol.
Sources
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