- InChI
- InChI=1S/C13H18/c1-9-5-6-12-11(10(9)2)7-8-13(12,3)4/h5-6H,7-8H2,1-4H3
- InChI Key
- BKSQAMSHSDSRGZ-UHFFFAOYSA-N
- Formula
- C13H18
- SMILES
- Cc1ccc2c(c1C)CCC2(C)C
- Molecular Weight1
- 174.29
- Other Names
-
- Indan, 1,1,4,5-tetramethyl-
- 1,1,4,5-Tetramethylindan
- 1,1,4,5-Tetramethylindane
- Indene, 2,3-dihydro, 1,1,4,5-tetramethyl
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -43.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.98 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.527 | Crippen Calculated Property | |
| McVol | 159.410 | ml/mol | McGowan Calculated Property |
| Inp | 1355.00 | NIST | |
| Tboil | 521.95 | K | Relay (1.0) Calculated Property |
| Tfus | 285.42 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.83; 470.03] | J/mol×K | [545.64; 769.56] | 
|
| Cp,gas | 379.83 | J/mol×K | 545.64 | Joback Calculated Property |
| Cp,gas | 397.19 | J/mol×K | 582.96 | Joback Calculated Property |
| Cp,gas | 413.41 | J/mol×K | 620.28 | Joback Calculated Property |
| Cp,gas | 428.65 | J/mol×K | 657.60 | Joback Calculated Property |
| Cp,gas | 443.06 | J/mol×K | 694.92 | Joback Calculated Property |
| Cp,gas | 456.80 | J/mol×K | 732.24 | Joback Calculated Property |
| Cp,gas | 470.03 | J/mol×K | 769.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indene, 2,3-dihydro-1,1,4,5-tetramethyl-.
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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