- InChI
- InChI=1S/C9H7FO/c1-3-7-4-5-9(11-2)8(10)6-7/h1,4-6H,2H3
- InChI Key
- PCQZNIONNPEWAZ-UHFFFAOYSA-N
- Formula
- C9H7FO
- SMILES
- C#Cc1ccc(OC)c(F)c1
- Molecular Weight1
- 150.15
- CAS
- 120136-28-9
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| PAff | 871.90 | kJ/mol | NIST |
| BasG | 839.50 | kJ/mol | NIST |
| ΔfG° | 41.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -51.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.68 | kJ/mol | Joback Calculated Property |
| log10WS | -2.62 | Crippen Calculated Property | |
| logPoct/wat | 1.816 | Crippen Calculated Property | |
| McVol | 112.950 | ml/mol | McGowan Calculated Property |
| Pc | 3480.65 | kPa | Joback Calculated Property |
| Tboil | 453.77 | K | Joback Calculated Property |
| Tc | 666.17 | K | Joback Calculated Property |
| Tfus | 312.44 | K | Joback Calculated Property |
| Vc | 0.429 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.14; 273.05] | J/mol×K | [453.77; 666.17] | 
|
| Cp,gas | 218.14 | J/mol×K | 453.77 | Joback Calculated Property |
| Cp,gas | 228.54 | J/mol×K | 489.17 | Joback Calculated Property |
| Cp,gas | 238.42 | J/mol×K | 524.57 | Joback Calculated Property |
| Cp,gas | 247.80 | J/mol×K | 559.97 | Joback Calculated Property |
| Cp,gas | 256.70 | J/mol×K | 595.37 | Joback Calculated Property |
| Cp,gas | 265.11 | J/mol×K | 630.77 | Joback Calculated Property |
| Cp,gas | 273.05 | J/mol×K | 666.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-F-4-CH3O-C6H3-CCH.
Sources
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