- InChI
- InChI=1S/C10H16/c1-8-6-5-7-10(3,4)9(8)2/h5-6H,7H2,1-4H3
- InChI Key
- RSTKTCUSOWRUNR-UHFFFAOYSA-N
- Formula
- C10H16
- SMILES
- CC1=C(C)C(C)(C)CC=C1
- Molecular Weight1
- 136.23
- CAS
- 514-96-5
- Other Names
-
- «beta»-Pyronene
- 1,2,6,6-Tetramethyl-1,3-Cyclohexadiene
- 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 | 0.2308 | Relay (... Calculated Property | |
| ΔfG° | 92.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -15.51 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 8.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.25 | kJ/mol | Relay (... Calculated Property |
| IE | 7.96 | eV | Relay (... Calculated Property |
| log10WS | -3.52 | Relay (... Calculated Property | |
| logPoct/wat | 3.309 | Crippen Calculated Property | |
| McVol | 132.300 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Inp | [970.00; 999.00] |
|
|
| Inp | 970.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 993.00 | NIST | |
| Tboil | 436.50 | K | Relay (... Calculated Property |
| Tc | 629.45 | K | Relay (... Calculated Property |
| Tfus | 239.08 | K | Relay (... Calculated Property |
| Vc | 0.461 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.78; 358.81] | J/mol×K | [456.27; 668.83] |
|
| Cp,gas | 273.78 | J/mol×K | 456.27 | Joback Calculated Property |
| Cp,gas | 290.27 | J/mol×K | 491.70 | Joback Calculated Property |
| Cp,gas | 305.70 | J/mol×K | 527.12 | Joback Calculated Property |
| Cp,gas | 320.17 | J/mol×K | 562.55 | Joback Calculated Property |
| Cp,gas | 333.78 | J/mol×K | 597.98 | Joback Calculated Property |
| Cp,gas | 346.62 | J/mol×K | 633.40 | Joback Calculated Property |
| Cp,gas | 358.81 | J/mol×K | 668.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Cyclohexadiene, 1,2,6,6-tetramethyl-.
Sources
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