- InChI
- InChI=1S/C12H17FO/c1-3-10(2)8-14-9-11-4-6-12(13)7-5-11/h4-7,10H,3,8-9H2,1-2H3
- InChI Key
- NTLLWCJZEZXNIE-UHFFFAOYSA-N
- Formula
- C12H17FO
- SMILES
- CCC(C)COCc1ccc(F)cc1
- Molecular Weight1
- 196.26
- 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° | -149.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -399.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.45 | kJ/mol | Joback Calculated Property |
| log10WS | -3.62 | Crippen Calculated Property | |
| logPoct/wat | 3.388 | Crippen Calculated Property | |
| McVol | 163.820 | ml/mol | McGowan Calculated Property |
| Pc | 2250.40 | kPa | Joback Calculated Property |
| Inp | [1319.00; 1319.00] |
|
|
| Inp | 1319.00 | NIST | |
| Inp | 1319.00 | NIST | |
| Tboil | 526.87 | K | Joback Calculated Property |
| Tc | 720.16 | K | Joback Calculated Property |
| Tfus | 271.76 | K | Joback Calculated Property |
| Vc | 0.629 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.83; 464.18] | J/mol×K | [526.87; 720.16] |
|
| Cp,gas | 380.83 | J/mol×K | 526.87 | Joback Calculated Property |
| Cp,gas | 396.55 | J/mol×K | 559.09 | Joback Calculated Property |
| Cp,gas | 411.52 | J/mol×K | 591.30 | Joback Calculated Property |
| Cp,gas | 425.75 | J/mol×K | 623.52 | Joback Calculated Property |
| Cp,gas | 439.26 | J/mol×K | 655.73 | Joback Calculated Property |
| Cp,gas | 452.06 | J/mol×K | 687.95 | Joback Calculated Property |
| Cp,gas | 464.18 | J/mol×K | 720.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (4-Fluorophenyl) methanol, 2-methylbutyl ether.
Sources
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