- InChI
- InChI=1S/C15H26/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,11,13-14H,1,4,8-10H2,2-3,5-6H3/t13-,14+,15-/m0/s1
- InChI Key
- VGLVBDNQOXVDTC-ZNMIVQPWSA-N
- Formula
- C15H26
- SMILES
- C=CC1(C)CCC(C(C)C)CC1C(=C)C
- Molecular Weight1
- 206.37
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3198 | Relay (... Calculated Property | |
| ΔfG° | 243.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -81.18 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.33 | kJ/mol | Relay (... Calculated Property |
| IE | 8.62 | eV | Relay (... Calculated Property |
| log10WS | -5.72 | Relay (... Calculated Property | |
| logPoct/wat | 4.827 | Crippen Calculated Property | |
| McVol | 202.750 | ml/mol | McGowan Calculated Property |
| Pc | 1769.87 | kPa | Joback Calculated Property |
| Inp | [1370.00; 1396.00] |
|
|
| Inp | 1396.00 | NIST | |
| Inp | 1394.00 | NIST | |
| Inp | 1370.00 | NIST | |
| Inp | 1381.00 | NIST | |
| Inp | 1396.00 | NIST | |
| I | 1585.00 | NIST | |
| Tboil | 518.04 | K | Relay (... Calculated Property |
| Tc | 707.53 | K | Relay (... Calculated Property |
| Tfus | 189.68 | K | Relay (... Calculated Property |
| Vc | 0.682 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [509.32; 631.17] | J/mol×K | [545.85; 753.47] |
|
| Cp,gas | 509.32 | J/mol×K | 545.85 | Joback Calculated Property |
| Cp,gas | 532.57 | J/mol×K | 580.45 | Joback Calculated Property |
| Cp,gas | 554.50 | J/mol×K | 615.06 | Joback Calculated Property |
| Cp,gas | 575.21 | J/mol×K | 649.66 | Joback Calculated Property |
| Cp,gas | 594.81 | J/mol×K | 684.26 | Joback Calculated Property |
| Cp,gas | 613.43 | J/mol×K | 718.86 | Joback Calculated Property |
| Cp,gas | 631.17 | J/mol×K | 753.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-«beta»-Elemene.
Sources
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