- InChI
- InChI=1S/C15H24O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12,14,16H,5-6,8-9H2,1-4H3/t12-,14?,15+/m0/s1
- InChI Key
- XCEXBRKEGXBUJE-XSDATEAUSA-N
- Formula
- C15H24O
- SMILES
- CC1=CC(O)CC(C)C12CCC(=C(C)C)C2
- Molecular Weight1
- 220.35
- CAS
- 68129-81-7
- Other Names
-
- Vetiverol
- 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.
- 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° | 55.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -276.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.54 | kJ/mol | Joback Calculated Property |
| log10WS | -4.49 | Crippen Calculated Property | |
| logPoct/wat | 3.840 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2185.64 | kPa | Joback Calculated Property |
| Inp | 1639.00 | NIST | |
| Tboil | 671.57 | K | Joback Calculated Property |
| Tc | 881.76 | K | Joback Calculated Property |
| Tfus | 370.77 | K | Joback Calculated Property |
| Vc | 0.744 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [572.72; 673.14] | J/mol×K | [671.57; 881.76] | 
|
| Cp,gas | 572.72 | J/mol×K | 671.57 | Joback Calculated Property |
| Cp,gas | 591.29 | J/mol×K | 706.60 | Joback Calculated Property |
| Cp,gas | 608.94 | J/mol×K | 741.63 | Joback Calculated Property |
| Cp,gas | 625.83 | J/mol×K | 776.66 | Joback Calculated Property |
| Cp,gas | 642.07 | J/mol×K | 811.69 | Joback Calculated Property |
| Cp,gas | 657.79 | J/mol×K | 846.72 | Joback Calculated Property |
| Cp,gas | 673.14 | J/mol×K | 881.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Vetivenol.
Sources
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