- InChI
- InChI=1S/C15H24O/c1-9(2)11-6-7-15(8-16)12-5-4-10(3)14(15)13(11)12/h4,9,11-14,16H,5-8H2,1-3H3/t11-,12?,13?,14?,15+/m0/s1
- InChI Key
- FJQZXWCSOKYVLO-WXVWGLJDSA-N
- Formula
- C15H24O
- SMILES
- CC1=CCC2C3C(C(C)C)CCC2(CO)C13
- 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 | 0.5373 | Relay (1.0) Calculated Property | |
| ΔfG° | 105.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -188.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.243 | Crippen Calculated Property | |
| McVol | 191.200 | ml/mol | McGowan Calculated Property |
| Pc | 2177.49 | kPa | Joback Calculated Property |
| Inp | [1563.00; 1563.00] |
|
|
| Inp | 1563.00 | NIST | |
| Inp | 1563.00 | NIST | |
| Tboil | 558.68 | K | Relay (1.0) Calculated Property |
| Tc | 827.00 | K | Relay (1.0) Calculated Property |
| Tfus | 365.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.651 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [575.92; 673.73] | J/mol×K | [653.87; 853.56] |
|
| Cp,gas | 575.92 | J/mol×K | 653.87 | Joback Calculated Property |
| Cp,gas | 594.00 | J/mol×K | 687.15 | Joback Calculated Property |
| Cp,gas | 611.17 | J/mol×K | 720.43 | Joback Calculated Property |
| Cp,gas | 627.59 | J/mol×K | 753.72 | Joback Calculated Property |
| Cp,gas | 643.38 | J/mol×K | 787.00 | Joback Calculated Property |
| Cp,gas | 658.71 | J/mol×K | 820.28 | Joback Calculated Property |
| Cp,gas | 673.73 | J/mol×K | 853.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 15-Copaenol.
Sources
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