- InChI
- InChI=1S/C12H16F2O/c1-12(2,3)8-15-7-9-6-10(13)4-5-11(9)14/h4-6H,7-8H2,1-3H3
- InChI Key
- XCTDKTCMCLWQNA-UHFFFAOYSA-N
- Formula
- C12H16F2O
- SMILES
- CC(C)(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° | -348.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -610.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.39 | 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 | 2149.31 | kPa | Joback Calculated Property |
| Inp | [1228.00; 1228.00] |
|
|
| Inp | 1228.00 | NIST | |
| Inp | 1228.00 | NIST | |
| Tboil | 528.33 | K | Joback Calculated Property |
| Tc | 720.61 | K | Joback Calculated Property |
| Tfus | 302.29 | K | Joback Calculated Property |
| Vc | 0.642 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [392.22; 472.60] | J/mol×K | [528.33; 720.61] |
|
| Cp,gas | 392.22 | J/mol×K | 528.33 | Joback Calculated Property |
| Cp,gas | 407.54 | J/mol×K | 560.38 | Joback Calculated Property |
| Cp,gas | 422.05 | J/mol×K | 592.42 | Joback Calculated Property |
| Cp,gas | 435.79 | J/mol×K | 624.47 | Joback Calculated Property |
| Cp,gas | 448.77 | J/mol×K | 656.52 | Joback Calculated Property |
| Cp,gas | 461.04 | J/mol×K | 688.56 | Joback Calculated Property |
| Cp,gas | 472.60 | J/mol×K | 720.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Difluorobenzyl alcohol, neopentyl ether.
Sources
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