- InChI
- InChI=1S/C15H26O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h6,13H,5,7-11H2,1-4H3/t13?,14-,15?
- InChI Key
- BAQRIYKLDIPFQB-JNNQLUTISA-N
- Formula
- C15H26O
- SMILES
- CC(C)=CCCC1(C)OC2(C)CCC1CC2
- Molecular Weight1
- 222.37
- 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° | 139.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -234.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.09 | kJ/mol | Joback Calculated Property |
| log10WS | -4.81 | Crippen Calculated Property | |
| logPoct/wat | 4.471 | Crippen Calculated Property | |
| McVol | 202.060 | ml/mol | McGowan Calculated Property |
| Pc | 1987.66 | kPa | Joback Calculated Property |
| Inp | [1503.00; 1521.00] |
|
|
| Inp | 1521.00 | NIST | |
| Inp | 1514.00 | NIST | |
| Inp | Outlier 1503.00 | NIST | |
| Inp | 1514.00 | NIST | |
| Inp | 1515.00 | NIST | |
| Inp | 1509.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Inp | 1516.00 | NIST | |
| Inp | 1514.00 | NIST | |
| Inp | 1514.00 | NIST | |
| Inp | 1514.00 | NIST | |
| Inp | 1507.00 | NIST | |
| Inp | 1507.00 | NIST | |
| Inp | 1516.00 | NIST | |
| Inp | 1507.00 | NIST | |
| Inp | 1521.00 | NIST | |
| I | [1733.00; 1760.00] |
|
|
| I | 1733.00 | NIST | |
| I | 1760.00 | NIST | |
| I | 1733.00 | NIST | |
| Tboil | 591.42 | K | Joback Calculated Property |
| Tc | 809.30 | K | Joback Calculated Property |
| Tfus | 338.74 | K | Joback Calculated Property |
| Vc | 0.770 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [551.75; 667.22] | J/mol×K | [591.42; 809.30] |
|
| Cp,gas | 551.75 | J/mol×K | 591.42 | Joback Calculated Property |
| Cp,gas | 573.41 | J/mol×K | 627.73 | Joback Calculated Property |
| Cp,gas | 593.76 | J/mol×K | 664.05 | Joback Calculated Property |
| Cp,gas | 613.05 | J/mol×K | 700.36 | Joback Calculated Property |
| Cp,gas | 631.55 | J/mol×K | 736.67 | Joback Calculated Property |
| Cp,gas | 649.52 | J/mol×K | 772.99 | Joback Calculated Property |
| Cp,gas | 667.22 | J/mol×K | 809.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sesquicineole.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.