- InChI
- InChI=1S/C11H14O/c1-11(2)8-7-9-5-3-4-6-10(9)12-11/h3-6H,7-8H2,1-2H3
- InChI Key
- MITIYLBEZOKYLX-UHFFFAOYSA-N
- Formula
- C11H14O
- SMILES
- CC1(C)CCc2ccccc2O1
- Molecular Weight1
- 162.23
- CAS
- 1198-96-5
- Other Names
-
- Chroman, 2,2-dimethyl-
- 2,2-Dimethylchroman
- 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 |
|---|---|---|---|
| ΔfH°gas | -127.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.790 | Crippen Calculated Property | |
| McVol | 137.100 | ml/mol | McGowan Calculated Property |
| Tboil | 495.36 | K | Relay (1.0) Calculated Property |
| Tfus | 256.19 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.31; 402.47] | J/mol×K | [521.14; 757.47] | 
|
| Cp,gas | 317.31 | J/mol×K | 521.14 | Joback Calculated Property |
| Cp,gas | 334.22 | J/mol×K | 560.53 | Joback Calculated Property |
| Cp,gas | 349.81 | J/mol×K | 599.92 | Joback Calculated Property |
| Cp,gas | 364.26 | J/mol×K | 639.31 | Joback Calculated Property |
| Cp,gas | 377.73 | J/mol×K | 678.70 | Joback Calculated Property |
| Cp,gas | 390.41 | J/mol×K | 718.09 | Joback Calculated Property |
| Cp,gas | 402.47 | J/mol×K | 757.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2H-1-Benzopyran, 3,4-dihydro-2,2-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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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