- InChI
- InChI=1S/C15H26O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h14,16H,1-2,5-11H2,3-4H3/t14-/m0/s1
- InChI Key
- MRNBNSIHBSPJFJ-AWEZNQCLSA-N
- Formula
- C15H26O
- SMILES
- C=C1CCC(O)C(=C)CCCC(C)(C)CC1
- Molecular Weight1
- 222.37
- Other Names
-
- Caryophylla-4(14),8(15)-dien-5«beta»-ol (=Caryophylladienol I)
- 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.
- I : 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 | 0.4581 | Relay (1.0) Calculated Property | |
| ΔfG° | -4.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -337.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.230 | Crippen Calculated Property | |
| McVol | 208.620 | ml/mol | McGowan Calculated Property |
| Pc | 2092.66 | kPa | Joback Calculated Property |
| Inp | [1612.00; 1642.00] |
|
|
| Inp | 1624.00 | NIST | |
| Inp | 1628.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1636.00 | NIST | |
| Inp | 1638.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | Outlier 1612.00 | NIST | |
| Inp | 1641.00 | NIST | |
| Inp | 1623.00 | NIST | |
| Inp | 1636.00 | NIST | |
| Inp | 1624.00 | NIST | |
| Inp | 1641.00 | NIST | |
| I | [2267.00; 2316.00] |
|
|
| I | 2267.00 | NIST | |
| I | 2296.00 | NIST | |
| I | 2316.00 | NIST | |
| I | 2316.00 | NIST | |
| I | 2267.00 | NIST | |
| Tboil | 583.40 | K | Relay (1.0) Calculated Property |
| Tc | 774.10 | K | Relay (1.0) Calculated Property |
| Tfus | 372.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.673 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [595.81; 707.67] | J/mol×K | [669.57; 883.39] |
|
| Cp,gas | 595.81 | J/mol×K | 669.57 | Joback Calculated Property |
| Cp,gas | 617.00 | J/mol×K | 705.21 | Joback Calculated Property |
| Cp,gas | 637.09 | J/mol×K | 740.84 | Joback Calculated Property |
| Cp,gas | 656.13 | J/mol×K | 776.48 | Joback Calculated Property |
| Cp,gas | 674.20 | J/mol×K | 812.12 | Joback Calculated Property |
| Cp,gas | 691.35 | J/mol×K | 847.76 | Joback Calculated Property |
| Cp,gas | 707.67 | J/mol×K | 883.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Caryophylla-4(14),8(15)-dien-5«beta»-ol.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.