- InChI
- InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h7,11H,5-6,8-10H2,1-4H3/t15-/m0/s1
- InChI Key
- CEBQMQLIBDRBKA-HNNXBMFYSA-N
- Formula
- C15H24
- SMILES
- CC1=C2CC(C(C)C)=CCC2(C)CCC1
- Molecular Weight1
- 204.35
- 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 | 0.3002 | Relay (1.0) Calculated Property | |
| ΔfG° | 179.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -37.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.869 | Crippen Calculated Property | |
| McVol | 191.890 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| Inp | [1457.00; 1513.00] |
|
|
| Inp | 1513.00 | NIST | |
| Inp | 1457.00 | NIST | |
| I | [1720.00; 1777.00] |
|
|
| I | 1777.00 | NIST | |
| I | 1720.00 | NIST | |
| Tboil | 522.07 | K | Relay (1.0) Calculated Property |
| Tc | 730.67 | K | Relay (1.0) Calculated Property |
| Tfus | 277.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.667 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [500.51; 612.42] | J/mol×K | [590.89; 815.98] |
|
| Cp,gas | 500.51 | J/mol×K | 590.89 | Joback Calculated Property |
| Cp,gas | 521.85 | J/mol×K | 628.41 | Joback Calculated Property |
| Cp,gas | 541.90 | J/mol×K | 665.92 | Joback Calculated Property |
| Cp,gas | 560.83 | J/mol×K | 703.44 | Joback Calculated Property |
| Cp,gas | 578.78 | J/mol×K | 740.95 | Joback Calculated Property |
| Cp,gas | 595.93 | J/mol×K | 778.47 | Joback Calculated Property |
| Cp,gas | 612.42 | J/mol×K | 815.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Selina-4,7-diene.
Sources
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