- InChI
- InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5+,12-9?
- InChI Key
- BYDQKMZEOZVIJM-ATKGFRKTSA-N
- Formula
- C13H20
- SMILES
- CC=CC=C1C(C)=CCCC1(C)C
- Molecular Weight1
- 176.30
- 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.
- 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 | 0.2706 | Relay (... Calculated Property | |
| ΔfG° | 223.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 13.88 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.30 | kJ/mol | Relay (... Calculated Property |
| IE | 7.65 | eV | Relay (... Calculated Property |
| log10WS | -4.65 | Relay (... Calculated Property | |
| logPoct/wat | 4.255 | Crippen Calculated Property | |
| McVol | 170.270 | ml/mol | McGowan Calculated Property |
| Pc | 2237.64 | kPa | Joback Calculated Property |
| Inp | 1328.00 | NIST | |
| Tboil | 492.43 | K | Relay (... Calculated Property |
| Tc | 679.44 | K | Relay (... Calculated Property |
| Tfus | 260.88 | K | Relay (... Calculated Property |
| Vc | 0.570 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.30; 491.60] | J/mol×K | [531.57; 748.41] | 
|
| Cp,gas | 394.30 | J/mol×K | 531.57 | Joback Calculated Property |
| Cp,gas | 413.03 | J/mol×K | 567.71 | Joback Calculated Property |
| Cp,gas | 430.58 | J/mol×K | 603.85 | Joback Calculated Property |
| Cp,gas | 447.07 | J/mol×K | 639.99 | Joback Calculated Property |
| Cp,gas | 462.65 | J/mol×K | 676.13 | Joback Calculated Property |
| Cp,gas | 477.45 | J/mol×K | 712.27 | Joback Calculated Property |
| Cp,gas | 491.60 | J/mol×K | 748.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-But-2-enylidene-1,5,5-trimethylcyclohexene (isomer I).
Sources
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