- InChI
- InChI=1S/C12H16/c1-9-4-5-10-6-7-12(2,3)11(10)8-9/h4-5,8H,6-7H2,1-3H3
- InChI Key
- OEAUYEGWUJMPQQ-UHFFFAOYSA-N
- Formula
- C12H16
- SMILES
- Cc1ccc2c(c1)C(C)(C)CC2
- Molecular Weight1
- 160.26
- Other Names
-
- 1,1,6-Trimethylindan
- Indan, 1,1,6-trimethyl-
- 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 | -11.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.219 | Crippen Calculated Property | |
| McVol | 145.320 | ml/mol | McGowan Calculated Property |
| Tboil | 502.07 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.68; 419.76] | J/mol×K | [517.78; 744.63] | 
|
| Cp,gas | 332.68 | J/mol×K | 517.78 | Joback Calculated Property |
| Cp,gas | 349.78 | J/mol×K | 555.59 | Joback Calculated Property |
| Cp,gas | 365.63 | J/mol×K | 593.40 | Joback Calculated Property |
| Cp,gas | 380.38 | J/mol×K | 631.20 | Joback Calculated Property |
| Cp,gas | 394.22 | J/mol×K | 669.01 | Joback Calculated Property |
| Cp,gas | 407.29 | J/mol×K | 706.82 | Joback Calculated Property |
| Cp,gas | 419.76 | J/mol×K | 744.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indene, 2,3-dihydro-1,1,6-trimethyl-.
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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