- InChI
- InChI=1S/C12H16/c1-3-12(2)9-8-10-6-4-5-7-11(10)12/h4-7H,3,8-9H2,1-2H3
- InChI Key
- PVWWWDUASYPYLN-UHFFFAOYSA-N
- Formula
- C12H16
- SMILES
- CCC1(C)CCc2ccccc21
- Molecular Weight1
- 160.26
- CAS
- 56298-75-0
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 5.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.300 | Crippen Calculated Property | |
| McVol | 145.320 | ml/mol | McGowan Calculated Property |
| Tboil | 498.83 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.97; 503.92] | 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 | -1.27859e+02 | |||
| Coefficient B | 1.44824e+00 | |||
| Coefficient C | -1.34596e-03 | |||
| Coefficient D | 5.29500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 177.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 239.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 290.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 333.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 369.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 399.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 427.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 452.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 477.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 503.92 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indene, 1-ethyl-2,3-dihydro-1-methyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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