- InChI
- InChI=1S/C12H16F2O/c1-3-9(2)7-15-8-10-6-11(13)4-5-12(10)14/h4-6,9H,3,7-8H2,1-2H3
- InChI Key
- NAOQMOLXOGRXQW-UHFFFAOYSA-N
- Formula
- C12H16F2O
- SMILES
- CCC(C)COCc1cc(F)ccc1F
- Molecular Weight1
- 214.25
- 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° | -353.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -607.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.29 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | 3.527 | Crippen Calculated Property | |
| McVol | 165.590 | ml/mol | McGowan Calculated Property |
| Pc | 2127.56 | kPa | Joback Calculated Property |
| Inp | [1307.00; 1307.00] |
|
|
| Inp | 1307.00 | NIST | |
| Inp | 1307.00 | NIST | |
| Tboil | 531.12 | K | Joback Calculated Property |
| Tc | 716.43 | K | Joback Calculated Property |
| Tfus | 284.87 | K | Joback Calculated Property |
| Vc | 0.647 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [389.39; 467.92] | J/mol×K | [531.12; 716.43] |
|
| Cp,gas | 389.39 | J/mol×K | 531.12 | Joback Calculated Property |
| Cp,gas | 404.09 | J/mol×K | 562.00 | Joback Calculated Property |
| Cp,gas | 418.13 | J/mol×K | 592.89 | Joback Calculated Property |
| Cp,gas | 431.52 | J/mol×K | 623.77 | Joback Calculated Property |
| Cp,gas | 444.27 | J/mol×K | 654.66 | Joback Calculated Property |
| Cp,gas | 456.40 | J/mol×K | 685.54 | Joback Calculated Property |
| Cp,gas | 467.92 | J/mol×K | 716.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Difluorobenzyl alcohol, 2-methylbutyl ether.
Sources
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