- 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
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3762 | Relay (1.0) Calculated Property | |
| ΔfG° | 101.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -127.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.790 | Crippen Calculated Property | |
| McVol | 137.100 | ml/mol | McGowan Calculated Property |
| Pc | 3202.78 | kPa | Joback Calculated Property |
| Tboil | 495.36 | K | Relay (1.0) Calculated Property |
| Tc | 722.07 | K | Relay (1.0) Calculated Property |
| Tfus | 261.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.513 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.22; 402.39] | J/mol×K | [520.94; 757.18] | 
|
| Cp,gas | 317.22 | J/mol×K | 520.94 | Joback Calculated Property |
| Cp,gas | 334.13 | J/mol×K | 560.31 | Joback Calculated Property |
| Cp,gas | 349.73 | J/mol×K | 599.69 | Joback Calculated Property |
| Cp,gas | 364.17 | J/mol×K | 639.06 | Joback Calculated Property |
| Cp,gas | 377.65 | J/mol×K | 678.44 | Joback Calculated Property |
| Cp,gas | 390.33 | J/mol×K | 717.81 | Joback Calculated Property |
| Cp,gas | 402.39 | J/mol×K | 757.18 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 371.70 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to 2H-1-Benzopyran, 3,4-dihydro-2,2-dimethyl-.
Sources
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