- InChI
- InChI=1S/C11H20/c1-9-5-7-11(3,4)8-6-10(9)2/h5-8H2,1-4H3
- InChI Key
- VXANAVFWLBEGSZ-UHFFFAOYSA-N
- Formula
- C11H20
- SMILES
- CC1=C(C)CCC(C)(C)CC1
- Molecular Weight1
- 152.28
- 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).
- 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 | 0.2608 | Relay (1.0) Calculated Property | |
| ΔfG° | 59.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -97.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.923 | Crippen Calculated Property | |
| McVol | 150.690 | ml/mol | McGowan Calculated Property |
| Pc | 2517.59 | kPa | Joback Calculated Property |
| Inp | 1069.00 | NIST | |
| Tboil | 461.64 | K | Relay (1.0) Calculated Property |
| Tc | 642.25 | K | Relay (1.0) Calculated Property |
| Tfus | 240.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.529 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.52; 543.63] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -9.14500e+01 | |||
| Coefficient B | 1.27828e+00 | |||
| Coefficient C | -9.95000e-04 | |||
| Coefficient D | 3.51800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 190.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 251.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 305.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 351.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 391.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 427.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 458.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 488.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 516.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 543.63 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,5,5-tetramethylcycloheptene.
Sources
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