- InChI
- InChI=1S/C14H20/c1-9-8-10(2)12-6-7-14(4,5)13(12)11(9)3/h8H,6-7H2,1-5H3
- InChI Key
- DKEQNICHDTZGAN-UHFFFAOYSA-N
- Formula
- C14H20
- SMILES
- Cc1cc(C)c2c(c1C)C(C)(C)CC2
- Molecular Weight1
- 188.31
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -52.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.78 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.836 | Crippen Calculated Property | |
| McVol | 173.500 | ml/mol | McGowan Calculated Property |
| Inp | [1458.00; 1458.00] |
|
|
| Inp | 1458.00 | NIST | |
| Inp | 1458.00 | NIST | |
| Tfus | 286.95 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [228.05; 597.98] | 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 | -8.67800e+01 | |||
| Coefficient B | 1.45980e+00 | |||
| Coefficient C | -1.25364e-03 | |||
| Coefficient D | 4.78600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 228.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 293.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 350.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 398.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 439.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 475.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 507.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 537.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 567.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 597.98 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indene, 2,3-dihydro-1,1,4,6,7-pentamethyl.
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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