- InChI
- InChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7-9,12H,5-6,10H2,1-4H3/t12-,15+/m0/s1
- InChI Key
- OGJMWHSJNRCMCN-SWLSCSKDSA-N
- Formula
- C15H22
- SMILES
- CC(C)=C1C=CC2=CCCC(C)C2(C)C1
- Molecular Weight1
- 202.34
- 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 | 0.2832 | Relay (... Calculated Property | |
| ΔfG° | 230.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 20.02 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.60 | kJ/mol | Relay (... Calculated Property |
| IE | 7.60 | eV | Relay (... Calculated Property |
| log10WS | -5.03 | Relay (... Calculated Property | |
| logPoct/wat | 4.645 | Crippen Calculated Property | |
| McVol | 187.590 | ml/mol | McGowan Calculated Property |
| Pc | 2139.38 | kPa | Joback Calculated Property |
| Inp | [1513.00; 1513.00] |
|
|
| Inp | 1513.00 | NIST | |
| Inp | 1513.00 | NIST | |
| I | [1817.00; 1817.00] |
|
|
| I | 1817.00 | NIST | |
| I | 1817.00 | NIST | |
| I | 1817.00 | NIST | |
| Tboil | 527.98 | K | Relay (... Calculated Property |
| Tc | 739.03 | K | Relay (... Calculated Property |
| Tfus | 333.62 | K | Relay (... Calculated Property |
| Vc | 0.641 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.83; 591.45] | J/mol×K | [583.22; 812.62] |
|
| Cp,gas | 480.83 | J/mol×K | 583.22 | Joback Calculated Property |
| Cp,gas | 502.10 | J/mol×K | 621.45 | Joback Calculated Property |
| Cp,gas | 522.00 | J/mol×K | 659.69 | Joback Calculated Property |
| Cp,gas | 540.71 | J/mol×K | 697.92 | Joback Calculated Property |
| Cp,gas | 558.40 | J/mol×K | 736.15 | Joback Calculated Property |
| Cp,gas | 575.26 | J/mol×K | 774.38 | Joback Calculated Property |
| Cp,gas | 591.45 | J/mol×K | 812.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Pyrovetivene.
Sources
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