- InChI
- InChI=1S/C15H24O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-9,12,14-16H,4-5,7,10H2,1-3H3/t12?,14-,15+/m1/s1
- InChI Key
- UNSGLJWOHGSVLW-UCWKZMIHSA-N
- Formula
- C15H24O
- SMILES
- C=C1C=CC(C(C)CCC=C(C)C)CC1O
- Molecular Weight1
- 220.35
- 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).
- 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° | 107.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -227.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.88 | kJ/mol | Joback Calculated Property |
| log10WS | -4.45 | Crippen Calculated Property | |
| logPoct/wat | 3.862 | Crippen Calculated Property | |
| McVol | 204.320 | ml/mol | McGowan Calculated Property |
| Pc | 1933.83 | kPa | Joback Calculated Property |
| I | [2358.00; 2358.00] |
|
|
| I | 2358.00 | NIST | |
| I | 2358.00 | NIST | |
| Tboil | 651.58 | K | Joback Calculated Property |
| Tc | 843.66 | K | Joback Calculated Property |
| Tfus | 303.17 | K | Joback Calculated Property |
| Vc | 0.771 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [565.65; 656.60] | J/mol×K | [651.58; 843.66] |
|
| Cp,gas | 565.65 | J/mol×K | 651.58 | Joback Calculated Property |
| Cp,gas | 583.04 | J/mol×K | 683.59 | Joback Calculated Property |
| Cp,gas | 599.49 | J/mol×K | 715.61 | Joback Calculated Property |
| Cp,gas | 615.03 | J/mol×K | 747.62 | Joback Calculated Property |
| Cp,gas | 629.71 | J/mol×K | 779.63 | Joback Calculated Property |
| Cp,gas | 643.56 | J/mol×K | 811.64 | Joback Calculated Property |
| Cp,gas | 656.60 | J/mol×K | 843.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-«beta»-sesquiphellandrol.
Sources
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