- InChI
- InChI=1S/C12H16O/c1-8-5-9(2)10-7-12(3,4)13-11(10)6-8/h5-6H,7H2,1-4H3
- InChI Key
- NKEPZWFYNPDTND-UHFFFAOYSA-N
- Formula
- C12H16O
- SMILES
- Cc1cc(C)c2c(c1)OC(C)(C)C2
- Molecular Weight1
- 176.25
- CAS
- 3698-49-5
- Other Names
-
- 2,3-Dihydro-2,2,4,6-tetramethylbenzofuran
- 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).
- 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° | 102.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -132.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.84 | kJ/mol | Joback Calculated Property |
| log10WS | -3.77 | Crippen Calculated Property | |
| logPoct/wat | 3.017 | Crippen Calculated Property | |
| McVol | 151.190 | ml/mol | McGowan Calculated Property |
| Pc | 2718.33 | kPa | Joback Calculated Property |
| Tboil | 549.51 | K | Joback Calculated Property |
| Tc | 775.17 | K | Joback Calculated Property |
| Tfus | 357.39 | K | Joback Calculated Property |
| Vc | 0.576 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [363.27; 445.69] | J/mol×K | [549.51; 775.17] | 
|
| Cp,gas | 363.27 | J/mol×K | 549.51 | Joback Calculated Property |
| Cp,gas | 379.11 | J/mol×K | 587.12 | Joback Calculated Property |
| Cp,gas | 393.91 | J/mol×K | 624.73 | Joback Calculated Property |
| Cp,gas | 407.82 | J/mol×K | 662.34 | Joback Calculated Property |
| Cp,gas | 420.98 | J/mol×K | 699.95 | Joback Calculated Property |
| Cp,gas | 433.55 | J/mol×K | 737.56 | Joback Calculated Property |
| Cp,gas | 445.69 | J/mol×K | 775.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzofuran, 2,3-dihydro-2,2,4,6-tetramethyl-.
Sources
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