- InChI
- InChI=1S/C11H14/c1-11(2)7-9-5-3-4-6-10(9)8-11/h3-6H,7-8H2,1-2H3
- InChI Key
- VAMWEVQXIHGFHY-UHFFFAOYSA-N
- Formula
- C11H14
- SMILES
- CC1(C)Cc2ccccc2C1
- Molecular Weight1
- 146.23
- Other Names
-
- 1H-Indene,2,3-dihydro-2,2-dimethyl-
- 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 | 2.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | NIST |
| logPoct/wat | 2.811 | Crippen Calculated Property | |
| McVol | 131.230 | ml/mol | McGowan Calculated Property |
| Tboil | 479.01 | 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 | [156.76; 452.33] | 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 | -1.26950e+02 | |||
| Coefficient B | 1.35324e+00 | |||
| Coefficient C | -1.29156e-03 | |||
| Coefficient D | 5.17600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 156.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 213.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 259.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 298.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 330.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 357.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 382.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 404.80 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 427.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 452.33 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-dimethylindane.
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
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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