- InChI
- InChI=1S/C15H22/c1-14(2,3)12-7-6-11-8-9-15(4,5)13(11)10-12/h6-7,10H,8-9H2,1-5H3
- InChI Key
- ZGPWHILODVHWKJ-UHFFFAOYSA-N
- Formula
- C15H22
- SMILES
- CC(C)(C)c1ccc2c(c1)C(C)(C)CC2
- Molecular Weight1
- 202.34
- CAS
- 3605-31-0
- Other Names
-
- 1H-Indene, 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -8872.20 ± 2.40 | kJ/mol | NIST |
| ΔfH°gas | -174.30 ± 2.60 | kJ/mol | NIST |
| ΔfusH° | 12.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.208 | Crippen Calculated Property | |
| McVol | 187.590 | ml/mol | McGowan Calculated Property |
| Tboil | 539.44 | K | Relay (1.0) Calculated Property |
| Tfus | 303.66 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.70; 657.12] | 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 | -1.40760e+02 | |||
| Coefficient B | 1.79960e+00 | |||
| Coefficient C | -1.61392e-03 | |||
| Coefficient D | 6.12200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 242.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 321.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 386.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 441.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 488.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 527.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 562.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 594.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 625.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 657.12 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-(tert-butyl)-1,1-dimethylindan.
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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