- InChI
- InChI=1S/C9H9FO3/c1-6(11)13-8-4-3-7(10)5-9(8)12-2/h3-5H,1-2H3
- InChI Key
- AGAAKZLWQYHEGL-UHFFFAOYSA-N
- Formula
- C9H9FO3
- SMILES
- COc1cc(F)ccc1OC(C)=O
- Molecular Weight1
- 184.16
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5520 | Relay (1.0) Calculated Property | |
| ΔfG° | -415.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -650.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.760 | Crippen Calculated Property | |
| McVol | 128.990 | ml/mol | McGowan Calculated Property |
| Pc | 3096.73 | kPa | Joback Calculated Property |
| Inp | [1255.90; 1255.90] |
|
|
| Inp | 1255.90 | NIST | |
| Inp | 1255.90 | NIST | |
| Tboil | 498.33 | K | Relay (1.0) Calculated Property |
| Tc | 706.15 | K | Relay (1.0) Calculated Property |
| Tfus | 299.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.484 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.79; 346.05] | J/mol×K | [539.94; 745.43] |
|
| Cp,gas | 286.79 | J/mol×K | 539.94 | Joback Calculated Property |
| Cp,gas | 297.93 | J/mol×K | 574.19 | Joback Calculated Property |
| Cp,gas | 308.58 | J/mol×K | 608.44 | Joback Calculated Property |
| Cp,gas | 318.72 | J/mol×K | 642.69 | Joback Calculated Property |
| Cp,gas | 328.36 | J/mol×K | 676.94 | Joback Calculated Property |
| Cp,gas | 337.47 | J/mol×K | 711.19 | Joback Calculated Property |
| Cp,gas | 346.05 | J/mol×K | 745.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluoro-2-methoxyphenol, acetate.
Sources
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