- InChI
- InChI=1S/C9H7FO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
- InChI Key
- WVPPBVAMKNQXJA-UHFFFAOYSA-N
- Formula
- C9H7FO
- SMILES
- O=C1CCc2cc(F)ccc21
- Molecular Weight1
- 150.15
- CAS
- 700-84-5
- Other Names
-
- 5-FLUOROINDANONE
- 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 | 0.4499 | Relay (1.0) Calculated Property | |
| ΔfG° | -130.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -276.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.955 | Crippen Calculated Property | |
| McVol | 106.390 | ml/mol | McGowan Calculated Property |
| Pc | 3773.04 | kPa | Joback Calculated Property |
| Tboil | 514.06 | K | Relay (1.0) Calculated Property |
| Tc | 755.36 | K | Relay (1.0) Calculated Property |
| Tfus | 316.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.393 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.21; 295.47] | J/mol×K | [520.46; 753.82] | 
|
| Cp,gas | 232.21 | J/mol×K | 520.46 | Joback Calculated Property |
| Cp,gas | 244.59 | J/mol×K | 559.35 | Joback Calculated Property |
| Cp,gas | 256.19 | J/mol×K | 598.25 | Joback Calculated Property |
| Cp,gas | 267.05 | J/mol×K | 637.14 | Joback Calculated Property |
| Cp,gas | 277.19 | J/mol×K | 676.04 | Joback Calculated Property |
| Cp,gas | 286.66 | J/mol×K | 714.93 | Joback Calculated Property |
| Cp,gas | 295.47 | J/mol×K | 753.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Inden-1-one, 5-fluoro-2,3-dihydro-.
Sources
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