- InChI
- InChI=1S/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
- InChI Key
- QXSWHQGIEKUBAS-UHFFFAOYSA-N
- Formula
- C8H5F
- SMILES
- C#Cc1ccc(F)cc1
- Molecular Weight1
- 120.12
- CAS
- 766-98-3
- Other Names
-
- (p-Fluorophenyl)acetylene
- 4-FC6H4CCH
- 4-fluorophenylacetylene
- 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 | 827.40 | kJ/mol | NIST |
| BasG | 796.70 | kJ/mol | NIST |
| ΔfG° | 147.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 112.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.38 | kJ/mol | Joback Calculated Property |
| log10WS | -2.50 | Crippen Calculated Property | |
| logPoct/wat | 1.807 | Crippen Calculated Property | |
| McVol | 92.990 | ml/mol | McGowan Calculated Property |
| Pc | 4072.51 | kPa | Joback Calculated Property |
| Tboil | 403.49 | K | Joback Calculated Property |
| Tc | 618.34 | K | Joback Calculated Property |
| Tfus | 266.42 | K | Joback Calculated Property |
| Vc | 0.355 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [159.08; 209.19] | J/mol×K | [403.49; 618.34] | 
|
| Cp,gas | 159.08 | J/mol×K | 403.49 | Joback Calculated Property |
| Cp,gas | 168.90 | J/mol×K | 439.30 | Joback Calculated Property |
| Cp,gas | 178.09 | J/mol×K | 475.11 | Joback Calculated Property |
| Cp,gas | 186.69 | J/mol×K | 510.91 | Joback Calculated Property |
| Cp,gas | 194.72 | J/mol×K | 546.72 | Joback Calculated Property |
| Cp,gas | 202.21 | J/mol×K | 582.53 | Joback Calculated Property |
| Cp,gas | 209.19 | J/mol×K | 618.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-ethynyl-4-fluoro-.
Sources
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