- InChI
- InChI=1S/C16H26O2/c1-6-15(4,17)10-7-8-11-16(5)12-9-14(18-16)13(2)3/h6,8,11,14,17H,1-2,7,9-10,12H2,3-5H3/b11-8+/t14?,15?,16-/m1/s1
- InChI Key
- CYBFOKSTAJYZDI-SWAHVZKGSA-N
- Formula
- C16H26O2
- SMILES
-
C=CC(C)(O)CCC=CC1(C)CCC(C(=C)C
)O1 - Molecular Weight1
- 250.38
- 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.
- 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° | 134.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -252.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.60 | kJ/mol | Joback Calculated Property |
| log10WS | -4.66 | Crippen Calculated Property | |
| logPoct/wat | 3.774 | Crippen Calculated Property | |
| McVol | 224.280 | ml/mol | McGowan Calculated Property |
| Pc | 1859.51 | kPa | Joback Calculated Property |
| Inp | [1539.00; 1539.00] |
|
|
| Inp | 1539.00 | NIST | |
| Inp | 1539.00 | NIST | |
| I | 2135.00 | NIST | |
| Tboil | 689.63 | K | Joback Calculated Property |
| Tc | 888.88 | K | Joback Calculated Property |
| Tfus | 367.89 | K | Joback Calculated Property |
| Vc | 0.842 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [650.37; 744.85] | J/mol×K | [689.63; 888.88] |
|
| Cp,gas | 650.37 | J/mol×K | 689.63 | Joback Calculated Property |
| Cp,gas | 667.69 | J/mol×K | 722.84 | Joback Calculated Property |
| Cp,gas | 684.20 | J/mol×K | 756.05 | Joback Calculated Property |
| Cp,gas | 700.02 | J/mol×K | 789.26 | Joback Calculated Property |
| Cp,gas | 715.31 | J/mol×K | 822.46 | Joback Calculated Property |
| Cp,gas | 730.21 | J/mol×K | 855.67 | Joback Calculated Property |
| Cp,gas | 744.85 | J/mol×K | 888.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-epi-7,10,Epoxyfarnesa-1,5,11-trien-3-ol.
Sources
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