![(-)-(1S,2S,3S)-1-Ethenyl-1-methyl-2,3-di(1-methyl-ethenyl)- cyclohexane [(-)-(5S,6S,10S)-iso-«beta»-elemene]](/cid/28-495-2/1S-2S-3S-1-Ethenyl-1-methyl-2-3-di-1-methyl-ethenyl-cyclohexane-5S-6S-10S-iso-beta-elemene.png "(-)-(1S,2S,3S)-1-Ethenyl-1-methyl-2,3-di(1-methyl-ethenyl)- cyclohexane [(-)-(5S,6S,10S)-iso-«beta»-elemene]")
- InChI
- InChI=1S/C15H24/c1-7-15(6)10-8-9-13(11(2)3)14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14-,15-/m0/s1
- InChI Key
- GJWVPRIGTFVAQW-KKUMJFAQSA-N
- Formula
- C15H24
- SMILES
- C=CC1(C)CCCC(C(=C)C)C1C(=C)C
- Molecular Weight1
- 204.35
- 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.
- 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° | 325.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 32.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.79 | kJ/mol | Joback Calculated Property |
| log10WS | -4.83 | Crippen Calculated Property | |
| logPoct/wat | 4.747 | Crippen Calculated Property | |
| McVol | 198.450 | ml/mol | McGowan Calculated Property |
| Pc | 1829.41 | kPa | Joback Calculated Property |
| Inp | 1364.00 | NIST | |
| Tboil | 542.85 | K | Joback Calculated Property |
| Tc | 754.13 | K | Joback Calculated Property |
| Tfus | 248.41 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [488.78; 606.82] | J/mol×K | [542.85; 754.13] | 
|
| Cp,gas | 488.78 | J/mol×K | 542.85 | Joback Calculated Property |
| Cp,gas | 511.42 | J/mol×K | 578.06 | Joback Calculated Property |
| Cp,gas | 532.71 | J/mol×K | 613.28 | Joback Calculated Property |
| Cp,gas | 552.77 | J/mol×K | 648.49 | Joback Calculated Property |
| Cp,gas | 571.73 | J/mol×K | 683.70 | Joback Calculated Property |
| Cp,gas | 589.70 | J/mol×K | 718.92 | Joback Calculated Property |
| Cp,gas | 606.82 | J/mol×K | 754.13 | Joback Calculated Property |
Similar Compounds
Sources
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