- InChI
- InChI=1S/C11H14F2O/c1-11(2,3)14-7-8-4-5-9(12)10(13)6-8/h4-6H,7H2,1-3H3
- InChI Key
- XAHGLAMYUOPINE-UHFFFAOYSA-N
- Formula
- C11H14F2O
- SMILES
- CC(C)(C)OCc1ccc(F)c(F)c1
- Molecular Weight1
- 200.23
- 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° | -356.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -589.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.16 | kJ/mol | Joback Calculated Property |
| log10WS | -3.89 | Crippen Calculated Property | |
| logPoct/wat | 3.280 | Crippen Calculated Property | |
| McVol | 151.500 | ml/mol | McGowan Calculated Property |
| Pc | 2354.20 | kPa | Joback Calculated Property |
| Inp | [1203.00; 1203.00] |
|
|
| Inp | 1203.00 | NIST | |
| Inp | 1203.00 | NIST | |
| Tboil | 505.45 | K | Joback Calculated Property |
| Tc | 700.19 | K | Joback Calculated Property |
| Tfus | 291.02 | K | Joback Calculated Property |
| Vc | 0.587 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.02; 422.29] | J/mol×K | [505.45; 700.19] |
|
| Cp,gas | 346.02 | J/mol×K | 505.45 | Joback Calculated Property |
| Cp,gas | 360.58 | J/mol×K | 537.91 | Joback Calculated Property |
| Cp,gas | 374.36 | J/mol×K | 570.36 | Joback Calculated Property |
| Cp,gas | 387.39 | J/mol×K | 602.82 | Joback Calculated Property |
| Cp,gas | 399.71 | J/mol×K | 635.27 | Joback Calculated Property |
| Cp,gas | 411.33 | J/mol×K | 667.73 | Joback Calculated Property |
| Cp,gas | 422.29 | J/mol×K | 700.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzyl alcohol, tert.-butyl ether.
Sources
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