- InChI
- InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3
- InChI Key
- NVEQFIOZRFFVFW-UHFFFAOYSA-N
- Formula
- C15H24O
- SMILES
- C=C1CCC2OC2(C)CCC2C1CC2(C)C
- Molecular Weight1
- 220.35
- Other Names
-
- trans-Caryophyllene epoxide
- trans- «beta»-Caryophyllene oxide
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 161.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -210.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.99 | kJ/mol | Joback Calculated Property |
| log10WS | -4.23 | Crippen Calculated Property | |
| logPoct/wat | 3.936 | Crippen Calculated Property | |
| McVol | 191.200 | ml/mol | McGowan Calculated Property |
| Pc | 2145.33 | kPa | Joback Calculated Property |
| Inp | [1560.00; 1583.00] |
|
|
| Inp | 1580.00 | NIST | |
| Inp | 1580.00 | NIST | |
| Inp | 1580.00 | NIST | |
| Inp | 1583.00 | NIST | |
| Inp | Outlier 1560.00 | NIST | |
| Inp | 1580.00 | NIST | |
| Inp | 1583.00 | NIST | |
| I | [1962.00; 1993.00] |
|
|
| I | 1962.00 | NIST | |
| I | 1962.00 | NIST | |
| I | 1962.00 | NIST | |
| I | 1993.00 | NIST | |
| I | 1970.00 | NIST | |
| Tboil | 592.88 | K | Joback Calculated Property |
| Tc | 822.50 | K | Joback Calculated Property |
| Tfus | 381.64 | K | Joback Calculated Property |
| Vc | 0.722 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [539.37; 661.78] | J/mol×K | [592.88; 822.50] |
|
| Cp,gas | 539.37 | J/mol×K | 592.88 | Joback Calculated Property |
| Cp,gas | 562.46 | J/mol×K | 631.15 | Joback Calculated Property |
| Cp,gas | 584.07 | J/mol×K | 669.42 | Joback Calculated Property |
| Cp,gas | 604.52 | J/mol×K | 707.69 | Joback Calculated Property |
| Cp,gas | 624.09 | J/mol×K | 745.96 | Joback Calculated Property |
| Cp,gas | 643.08 | J/mol×K | 784.23 | Joback Calculated Property |
| Cp,gas | 661.78 | J/mol×K | 822.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-caryophyllene oxide.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.