- InChI
- InChI=1S/C14H22O2/c1-9-4-5-12(16)14(3)7-6-11(13(9)14)8-10(2)15/h11-13,16H,1,4-8H2,2-3H3/t11?,12-,13?,14+/m0/s1
- InChI Key
- RRLLRBBKPAUQCW-GNRIBBGQSA-N
- Formula
- C14H22O2
- SMILES
- C=C1CCC(O)C2(C)CCC(CC(C)=O)C12
- Molecular Weight1
- 222.32
- 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° | -81.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.26 | Crippen Calculated Property | |
| logPoct/wat | 2.709 | Crippen Calculated Property | |
| McVol | 189.540 | ml/mol | McGowan Calculated Property |
| Pc | 2324.78 | kPa | Joback Calculated Property |
| Inp | [1770.00; 1771.00] |
|
|
| Inp | 1770.00 | NIST | |
| Inp | 1771.00 | NIST | |
| Tboil | 682.12 | K | Joback Calculated Property |
| Tc | 886.15 | K | Joback Calculated Property |
| Tfus | 412.71 | K | Joback Calculated Property |
| Vc | 0.715 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [563.53; 656.51] | J/mol×K | [682.12; 886.15] |
|
| Cp,gas | 563.53 | J/mol×K | 682.12 | Joback Calculated Property |
| Cp,gas | 580.70 | J/mol×K | 716.12 | Joback Calculated Property |
| Cp,gas | 597.05 | J/mol×K | 750.13 | Joback Calculated Property |
| Cp,gas | 612.69 | J/mol×K | 784.13 | Joback Calculated Property |
| Cp,gas | 627.74 | J/mol×K | 818.14 | Joback Calculated Property |
| Cp,gas | 642.31 | J/mol×K | 852.14 | Joback Calculated Property |
| Cp,gas | 656.51 | J/mol×K | 886.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Spirovetiva-3,7(11)-dien-12-ol.
Sources
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