- InChI
- InChI=1S/C12H16/c1-9-8-12(2,3)11-7-5-4-6-10(9)11/h4-7,9H,8H2,1-3H3
- InChI Key
- CPLBLNGVYBSVPU-UHFFFAOYSA-N
- Formula
- C12H16
- SMILES
- CC1CC(C)(C)c2ccccc21
- Molecular Weight1
- 160.26
- CAS
- 2613-76-5
- Other Names
-
- Indan, 1,1,3-trimethyl-
- 1,1,3-Trimethylindan
- 1,1,3-Trimethylindane
- 1,1,3-Trimethyl-(2,3-dihydroindene)
- 2,3-Dihydro-1,1,3-trimethyl-1H-indene
- Indane, 1,1,3-trimethyl
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 200.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 1.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.70 | kJ/mol | Joback Calculated Property |
| log10WS | -3.45 | Crippen Calculated Property | |
| logPoct/wat | 3.471 | Crippen Calculated Property | |
| McVol | 145.320 | ml/mol | McGowan Calculated Property |
| Pc | 2735.42 | kPa | Joback Calculated Property |
| Inp | 1178.00 | NIST | |
| Tboil | 507.93 | K | Joback Calculated Property |
| Tc | 733.35 | K | Joback Calculated Property |
| Tfus | 301.54 | K | Joback Calculated Property |
| Vc | 0.553 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.97; 424.37] | J/mol×K | [507.93; 733.35] | 
|
| Cp,gas | 332.97 | J/mol×K | 507.93 | Joback Calculated Property |
| Cp,gas | 350.99 | J/mol×K | 545.50 | Joback Calculated Property |
| Cp,gas | 367.68 | J/mol×K | 583.07 | Joback Calculated Property |
| Cp,gas | 383.21 | J/mol×K | 620.64 | Joback Calculated Property |
| Cp,gas | 397.73 | J/mol×K | 658.21 | Joback Calculated Property |
| Cp,gas | 411.39 | J/mol×K | 695.78 | Joback Calculated Property |
| Cp,gas | 424.37 | J/mol×K | 733.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-.
Sources
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