- InChI
- InChI=1S/C14H22O/c1-9-11-4-5-12(15)14(11)7-6-10(8-14)13(9,2)3/h10-12,15H,1,4-8H2,2-3H3/t10-,11?,12+,14-/m0/s1
- InChI Key
- CXANYYGAUWHHNM-LNJHAREASA-N
- Formula
- C14H22O
- SMILES
- C=C1C2CCC(O)C23CCC(C3)C1(C)C
- Molecular Weight1
- 206.32
- 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° | 114.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -204.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.76 | kJ/mol | Joback Calculated Property |
| log10WS | -3.63 | Crippen Calculated Property | |
| logPoct/wat | 3.140 | Crippen Calculated Property | |
| McVol | 177.110 | ml/mol | McGowan Calculated Property |
| Pc | 2532.82 | kPa | Joback Calculated Property |
| Inp | [1610.00; 1610.00] |
|
|
| Inp | 1610.00 | NIST | |
| Inp | 1610.00 | NIST | |
| Tboil | 630.96 | K | Joback Calculated Property |
| Tc | 841.94 | K | Joback Calculated Property |
| Tfus | 408.14 | K | Joback Calculated Property |
| Vc | 0.671 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [520.51; 620.56] | J/mol×K | [630.96; 841.94] |
|
| Cp,gas | 520.51 | J/mol×K | 630.96 | Joback Calculated Property |
| Cp,gas | 538.69 | J/mol×K | 666.12 | Joback Calculated Property |
| Cp,gas | 555.95 | J/mol×K | 701.29 | Joback Calculated Property |
| Cp,gas | 572.53 | J/mol×K | 736.45 | Joback Calculated Property |
| Cp,gas | 588.66 | J/mol×K | 771.61 | Joback Calculated Property |
| Cp,gas | 604.59 | J/mol×K | 806.77 | Joback Calculated Property |
| Cp,gas | 620.56 | J/mol×K | 841.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 12-nor-Ziza-6(13)-en-2«beta»-ol.
Sources
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