- InChI
- InChI=1S/C10H6ClF5O3/c1-18-5-2-3-7(6(11)4-5)19-8(17)9(12,13)10(14,15)16/h2-4H,1H3
- InChI Key
- CMYVKNJWVOOMIG-UHFFFAOYSA-N
- Formula
- C10H6ClF5O3
- SMILES
-
COc1ccc(OC(=O)C(F)(F)C(F)(F)F)
c(Cl)c1 - Molecular Weight1
- 304.60
- 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 | 0.5819 | Relay (1.0) Calculated Property | |
| ΔfG° | -1192.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1479.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.452 | Crippen Calculated Property | |
| McVol | 162.400 | ml/mol | McGowan Calculated Property |
| Pc | 2329.27 | kPa | Joback Calculated Property |
| Inp | [1273.00; 1273.00] |
|
|
| Inp | 1273.00 | NIST | |
| Inp | 1273.00 | NIST | |
| Tboil | 477.93 | K | Relay (1.0) Calculated Property |
| Tc | 671.61 | K | Relay (1.0) Calculated Property |
| Tfus | 279.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.587 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.89; 449.03] | J/mol×K | [590.87; 783.28] |
|
| Cp,gas | 396.89 | J/mol×K | 590.87 | Joback Calculated Property |
| Cp,gas | 407.28 | J/mol×K | 622.94 | Joback Calculated Property |
| Cp,gas | 416.96 | J/mol×K | 655.01 | Joback Calculated Property |
| Cp,gas | 425.94 | J/mol×K | 687.07 | Joback Calculated Property |
| Cp,gas | 434.26 | J/mol×K | 719.14 | Joback Calculated Property |
| Cp,gas | 441.95 | J/mol×K | 751.21 | Joback Calculated Property |
| Cp,gas | 449.03 | J/mol×K | 783.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloro-4-methoxyphenol, pentafluoropropionate.
Sources
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