- InChI
- InChI=1S/C9H14/c1-7-5-6-9(3,4)8(7)2/h5-6H,1-4H3
- InChI Key
- FZQSOBIGZJECPN-UHFFFAOYSA-N
- Formula
- C9H14
- SMILES
- CC1=C(C)C(C)(C)C=C1
- Molecular Weight1
- 122.21
- CAS
- 4249-12-1
- Other Names
-
- 1,2,5,5-Tetramethyl-1,3-cyclopentadiene
- 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 | 0.2256 | Relay (... Calculated Property | |
| ΔfG° | 96.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 28.02 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 8.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.46 | kJ/mol | Relay (... Calculated Property |
| IE | 7.95 | eV | Relay (... Calculated Property |
| log10WS | -3.43 | Relay (... Calculated Property | |
| logPoct/wat | 2.919 | Crippen Calculated Property | |
| McVol | 118.210 | ml/mol | McGowan Calculated Property |
| Pc | 3035.62 | kPa | Joback Calculated Property |
| Inp | [834.70; 840.00] |
|
|
| Inp | 834.70 | NIST | |
| Inp | 834.70 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 840.00 | NIST | |
| Tboil | 403.55 | K | Relay (... Calculated Property |
| Tc | 601.20 | K | Relay (... Calculated Property |
| Tfus | 241.09 | K | Relay (... Calculated Property |
| Vc | 0.426 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.64; 307.11] | J/mol×K | [429.12; 635.97] |
|
| Cp,gas | 232.64 | J/mol×K | 429.12 | Joback Calculated Property |
| Cp,gas | 247.23 | J/mol×K | 463.59 | Joback Calculated Property |
| Cp,gas | 260.83 | J/mol×K | 498.07 | Joback Calculated Property |
| Cp,gas | 273.51 | J/mol×K | 532.54 | Joback Calculated Property |
| Cp,gas | 285.39 | J/mol×K | 567.02 | Joback Calculated Property |
| Cp,gas | 296.56 | J/mol×K | 601.49 | Joback Calculated Property |
| Cp,gas | 307.11 | J/mol×K | 635.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Cyclopentadiene, 1,2,5,5-tetramethyl-.
Sources
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