- InChI
- InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9,12H,6,8H2,1-4H3
- InChI Key
- HDBSITBZJGRUAD-UHFFFAOYSA-N
- Formula
- C15H20
- SMILES
- CC(C)=C1CCC(C)c2ccc(C)cc21
- Molecular Weight1
- 200.32
- 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° | 254.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -6.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.54 | kJ/mol | Joback Calculated Property |
| log10WS | -5.11 | Crippen Calculated Property | |
| logPoct/wat | 4.686 | Crippen Calculated Property | |
| McVol | 183.290 | ml/mol | McGowan Calculated Property |
| Pc | 2127.56 | kPa | Joback Calculated Property |
| Inp | [1536.00; 1566.00] |
|
|
| Inp | Outlier 1536.00 | NIST | |
| Inp | 1566.00 | NIST | |
| Inp | Outlier 1536.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1563.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1559.00 | NIST | |
| Inp | 1561.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1566.00 | NIST | |
| I | 1942.00 | NIST | |
| Tboil | 596.77 | K | Joback Calculated Property |
| Tc | 821.36 | K | Joback Calculated Property |
| Tfus | 321.09 | K | Joback Calculated Property |
| Vc | 0.701 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.34; 559.99] | J/mol×K | [596.77; 821.36] |
|
| Cp,gas | 461.34 | J/mol×K | 596.77 | Joback Calculated Property |
| Cp,gas | 480.53 | J/mol×K | 634.20 | Joback Calculated Property |
| Cp,gas | 498.53 | J/mol×K | 671.63 | Joback Calculated Property |
| Cp,gas | 515.41 | J/mol×K | 709.06 | Joback Calculated Property |
| Cp,gas | 531.24 | J/mol×K | 746.49 | Joback Calculated Property |
| Cp,gas | 546.07 | J/mol×K | 783.93 | Joback Calculated Property |
| Cp,gas | 559.99 | J/mol×K | 821.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Calacorene.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.