- InChI
- InChI=1S/C12H22/c1-11(2,3)9-7-8-10-12(4,5)6/h7,10H,9H2,1-6H3
- InChI Key
- APIDJYHKQJDGMH-UHFFFAOYSA-N
- Formula
- C12H22
- SMILES
- CC(C)(C)C=C=CCC(C)(C)C
- Molecular Weight1
- 166.30
- CAS
- 61092-76-0
- Other Names
-
- 2,2,7,7-Tetramethyl-3,4-octadiene
- 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 | 0.3050 | Relay (1.0) Calculated Property | |
| ΔfG° | 264.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -34.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.180 | Crippen Calculated Property | |
| McVol | 171.340 | ml/mol | McGowan Calculated Property |
| Pc | 2088.84 | kPa | Joback Calculated Property |
| Tboil | 445.28 | K | Relay (1.0) Calculated Property |
| Tc | 619.93 | K | Relay (1.0) Calculated Property |
| Tfus | 267.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.631 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [382.56; 480.77] | J/mol×K | [474.93; 675.48] | 
|
| Cp,gas | 382.56 | J/mol×K | 474.93 | Joback Calculated Property |
| Cp,gas | 401.55 | J/mol×K | 508.35 | Joback Calculated Property |
| Cp,gas | 419.41 | J/mol×K | 541.78 | Joback Calculated Property |
| Cp,gas | 436.20 | J/mol×K | 575.20 | Joback Calculated Property |
| Cp,gas | 451.99 | J/mol×K | 608.63 | Joback Calculated Property |
| Cp,gas | 466.82 | J/mol×K | 642.05 | Joback Calculated Property |
| Cp,gas | 480.77 | J/mol×K | 675.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Octadiene, 2,2,7,7-tetramethyl-.
Sources
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