- InChI
- InChI=1S/C12H14/c1-9-8-12(2,3)11-7-5-4-6-10(9)11/h4-8H,1-3H3
- InChI Key
- GFQUBQQRVARIRW-UHFFFAOYSA-N
- Formula
- C12H14
- SMILES
- CC1=CC(C)(C)c2ccccc21
- Molecular Weight1
- 158.24
- CAS
- 2177-45-9
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3481 | Relay (1.0) Calculated Property | |
| ΔfG° | 228.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 131.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.381 | Crippen Calculated Property | |
| McVol | 141.020 | ml/mol | McGowan Calculated Property |
| Pc | 2896.73 | kPa | Joback Calculated Property |
| Tboil | 492.50 | K | Relay (1.0) Calculated Property |
| Tc | 721.72 | K | Relay (1.0) Calculated Property |
| Tfus | 253.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.523 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.01; 394.98] | J/mol×K | [516.74; 745.84] | 
|
| Cp,gas | 315.01 | J/mol×K | 516.74 | Joback Calculated Property |
| Cp,gas | 330.83 | J/mol×K | 554.92 | Joback Calculated Property |
| Cp,gas | 345.43 | J/mol×K | 593.11 | Joback Calculated Property |
| Cp,gas | 358.97 | J/mol×K | 631.29 | Joback Calculated Property |
| Cp,gas | 371.63 | J/mol×K | 669.47 | Joback Calculated Property |
| Cp,gas | 383.58 | J/mol×K | 707.65 | Joback Calculated Property |
| Cp,gas | 394.98 | J/mol×K | 745.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indene, 1,1,3-trimethyl-.
Sources
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