- InChI
- InChI=1S/C11H13FO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3
- InChI Key
- HBJRRAMFTUDWMQ-UHFFFAOYSA-N
- Formula
- C11H13FO
- SMILES
- CCCCC(=O)c1ccc(F)cc1
- Molecular Weight1
- 180.22
- CAS
- 29114-66-7
- Other Names
-
- 4-Fluorovalerophenone
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5162 | Relay (1.0) Calculated Property | |
| ΔfG° | -179.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -373.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.199 | Crippen Calculated Property | |
| McVol | 145.430 | ml/mol | McGowan Calculated Property |
| Pc | 2657.03 | kPa | Joback Calculated Property |
| Tboil | 510.15 | K | Relay (1.0) Calculated Property |
| Tc | 706.07 | K | Relay (1.0) Calculated Property |
| Tfus | 293.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.536 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.86; 401.47] | J/mol×K | [535.88; 738.04] | 
|
| Cp,gas | 329.86 | J/mol×K | 535.88 | Joback Calculated Property |
| Cp,gas | 343.61 | J/mol×K | 569.57 | Joback Calculated Property |
| Cp,gas | 356.61 | J/mol×K | 603.27 | Joback Calculated Property |
| Cp,gas | 368.86 | J/mol×K | 636.96 | Joback Calculated Property |
| Cp,gas | 380.41 | J/mol×K | 670.65 | Joback Calculated Property |
| Cp,gas | 391.27 | J/mol×K | 704.35 | Joback Calculated Property |
| Cp,gas | 401.47 | J/mol×K | 738.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4'-Fluorovalerophenone.
Sources
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