- InChI
- InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3
- InChI Key
- OPFTUNCRGUEPRZ-UHFFFAOYSA-N
- Formula
- C15H24
- SMILES
- C=CC1(C)CCC(C(=C)C)CC1C(=C)C
- Molecular Weight1
- 204.35
- CAS
- 33880-83-0
- Other Names
-
- «beta»-elemene
- (1«alpha»,2«beta»,4«beta»)-1-methyl-2,4-bis(methylvinyl)-1-vinylcyclohexane
- (1«alpha»,2«beta»,4«beta»)-1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)cyclohexane
- 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).
- 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 | 0.3019 | Relay (... Calculated Property | |
| ΔfG° | 325.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 23.87 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.39 | kJ/mol | Relay (... Calculated Property |
| IE | 8.60 | eV | Relay (... Calculated Property |
| log10WS | -5.49 | Relay (... Calculated Property | |
| logPoct/wat | 4.747 | Crippen Calculated Property | |
| McVol | 198.450 | ml/mol | McGowan Calculated Property |
| Pc | 1829.41 | kPa | Joback Calculated Property |
| Tboil | 526.50 | K | Relay (... Calculated Property |
| Tc | 711.36 | K | Relay (... Calculated Property |
| Tfus | 197.00 | K | Relay (... Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (... 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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