- InChI
- InChI=1S/C12H17FO/c1-2-3-4-8-14-10-11-6-5-7-12(13)9-11/h5-7,9H,2-4,8,10H2,1H3
- InChI Key
- WHLPKOSJVOJPES-UHFFFAOYSA-N
- Formula
- C12H17FO
- SMILES
- CCCCCOCc1cccc(F)c1
- 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° | -146.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -394.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.84 | kJ/mol | Joback Calculated Property |
| log10WS | -3.86 | Crippen Calculated Property | |
| logPoct/wat | 3.533 | Crippen Calculated Property | |
| McVol | 163.820 | ml/mol | McGowan Calculated Property |
| Pc | 2233.41 | kPa | Joback Calculated Property |
| Inp | [1364.00; 1364.00] |
|
|
| Inp | 1364.00 | NIST | |
| Inp | 1364.00 | NIST | |
| Tboil | 527.31 | K | Joback Calculated Property |
| Tc | 716.64 | K | Joback Calculated Property |
| Tfus | 286.76 | K | Joback Calculated Property |
| Vc | 0.635 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.57; 462.15] | J/mol×K | [527.31; 716.64] |
|
| Cp,gas | 380.57 | J/mol×K | 527.31 | Joback Calculated Property |
| Cp,gas | 395.91 | J/mol×K | 558.86 | Joback Calculated Property |
| Cp,gas | 410.52 | J/mol×K | 590.42 | Joback Calculated Property |
| Cp,gas | 424.44 | J/mol×K | 621.97 | Joback Calculated Property |
| Cp,gas | 437.68 | J/mol×K | 653.53 | Joback Calculated Property |
| Cp,gas | 450.24 | J/mol×K | 685.08 | Joback Calculated Property |
| Cp,gas | 462.15 | J/mol×K | 716.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3-Fluorophenyl) methanol, n-pentyl ether.
Sources
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