- InChI
- InChI=1S/C15H24O/c1-11-7-9-15(10-8-11)12(2)5-6-13(15)14(3,4)16/h7,9,12-13,16H,1,5-6,8,10H2,2-4H3/t12-,13+,15+/m0/s1
- InChI Key
- RWWKEKDASZBAER-GZBFAFLISA-N
- Formula
- C15H24O
- SMILES
- C=C1C=CC2(CC1)C(C)CCC2C(C)(C)O
- Molecular Weight1
- 220.35
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5234 | Relay (1.0) Calculated Property | |
| ΔfG° | 84.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -195.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.696 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2224.99 | kPa | Joback Calculated Property |
| Inp | [1612.00; 1612.00] |
|
|
| Inp | 1612.00 | NIST | |
| Inp | 1612.00 | NIST | |
| Tboil | 553.16 | K | Relay (1.0) Calculated Property |
| Tc | 783.06 | K | Relay (1.0) Calculated Property |
| Tfus | 346.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.659 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.39; 676.04] | J/mol×K | [656.00; 868.98] |
|
| Cp,gas | 574.39 | J/mol×K | 656.00 | Joback Calculated Property |
| Cp,gas | 593.55 | J/mol×K | 691.50 | Joback Calculated Property |
| Cp,gas | 611.61 | J/mol×K | 726.99 | Joback Calculated Property |
| Cp,gas | 628.74 | J/mol×K | 762.49 | Joback Calculated Property |
| Cp,gas | 645.09 | J/mol×K | 797.99 | Joback Calculated Property |
| Cp,gas | 660.80 | J/mol×K | 833.49 | Joback Calculated Property |
| Cp,gas | 676.04 | J/mol×K | 868.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acora-2,4(15)-dien-11-ol.
Sources
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