- InChI
- InChI=1S/C15H24O/c1-10-5-7-13-12(9-15(13,3)4)11(2)14(16)8-6-10/h13-14,16H,1,5-9H2,2-4H3/b12-11-/t13-,14?/m0/s1
- InChI Key
- SITZSLWMRATRGJ-CPVPWXCSSA-N
- Formula
- C15H24O
- SMILES
- C=C1CCC(O)C(C)=C2CC(C)(C)C2CC1
- 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 | 0.4534 | Relay (1.0) Calculated Property | |
| ΔfG° | 50.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -212.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.840 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2175.46 | kPa | Joback Calculated Property |
| Inp | 1682.00 | NIST | |
| Tboil | 581.56 | K | Relay (1.0) Calculated Property |
| Tc | 800.44 | K | Relay (1.0) Calculated Property |
| Tfus | 363.48 | 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 | [574.05; 675.74] | J/mol×K | [673.46; 883.37] | 
|
| Cp,gas | 574.05 | J/mol×K | 673.46 | Joback Calculated Property |
| Cp,gas | 592.93 | J/mol×K | 708.44 | Joback Calculated Property |
| Cp,gas | 610.88 | J/mol×K | 743.43 | Joback Calculated Property |
| Cp,gas | 628.04 | J/mol×K | 778.41 | Joback Calculated Property |
| Cp,gas | 644.49 | J/mol×K | 813.40 | Joback Calculated Property |
| Cp,gas | 660.35 | J/mol×K | 848.38 | Joback Calculated Property |
| Cp,gas | 675.74 | J/mol×K | 883.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Caryophylla-3(15),7-dienol (6) II.
Sources
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