- InChI
- InChI=1S/C11H14/c1-8-7-9(2)11-6-4-3-5-10(8)11/h3-6,8-9H,7H2,1-2H3
- InChI Key
- IIJUYSSJMAITHJ-UHFFFAOYSA-N
- Formula
- C11H14
- SMILES
- CC1CC(C)c2ccccc21
- Molecular Weight1
- 146.23
- CAS
- 4175-53-5
- Other Names
-
- Indan, 1,3-dimethyl-
- 1,3-Dimethylindan
- 1,3-Dimethyl-(2,3-dihydroindene)
- 2,3-Dihydro-1,3-dimethyl-1H-indene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 13.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.297 | Crippen Calculated Property | |
| McVol | 131.230 | ml/mol | McGowan Calculated Property |
| Inp | [200.61; 1135.00] |
|
|
| Inp | 1127.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 200.61 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Tboil | 481.12 | 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 | [162.95; 451.66] | 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 | -7.10200e+01 | |||
| Coefficient B | 1.03484e+00 | |||
| Coefficient C | -7.03560e-04 | |||
| Coefficient D | 1.91400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 162.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 215.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 261.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 301.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 336.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 366.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 392.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 414.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 434.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 451.66 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010979; 0.0004140] | Pa×s | [266.37; 493.27] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -8.93480e+00 | |||
| Coefficient B | 5.64830e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 266.37 | |||
| Temperature range, max. | 493.27 | |||
| η | 0.0010979 | Pa×s | 266.37 | Calculated Property |
| η | 0.0009140 | Pa×s | 291.58 | Calculated Property |
| η | 0.0007834 | Pa×s | 316.79 | Calculated Property |
| η | 0.0006869 | Pa×s | 342.00 | Calculated Property |
| η | 0.0006133 | Pa×s | 367.21 | Calculated Property |
| η | 0.0005556 | Pa×s | 392.42 | Calculated Property |
| η | 0.0005094 | Pa×s | 417.63 | Calculated Property |
| η | 0.0004716 | Pa×s | 442.84 | Calculated Property |
| η | 0.0004403 | Pa×s | 468.06 | Calculated Property |
| η | 0.0004140 | Pa×s | 493.27 | Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indene, 2,3-dihydro-1,3-dimethyl-.
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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