- InChI
- InChI=1S/C12H9F7O4/c1-21-6-4-3-5-7(22-2)8(6)23-9(20)10(13,14)11(15,16)12(17,18)19/h3-5H,1-2H3
- InChI Key
- HOUIQBCSIBUBBK-UHFFFAOYSA-N
- Formula
- C12H9F7O4
- SMILES
-
COc1cccc(OC)c1OC(=O)C(F)(F)C(F
)(F)C(F)(F)F - Molecular Weight1
- 350.19
- 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 | 0.6770 | Relay (1.0) Calculated Property | |
| ΔfG° | -1655.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2012.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.442 | Crippen Calculated Property | |
| McVol | 187.750 | ml/mol | McGowan Calculated Property |
| Pc | 1865.94 | kPa | Joback Calculated Property |
| Inp | [1345.00; 1345.00] |
|
|
| Inp | 1345.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Tboil | 500.97 | K | Relay (1.0) Calculated Property |
| Tc | 667.66 | K | Relay (1.0) Calculated Property |
| Tfus | 295.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.691 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [510.95; 570.63] | J/mol×K | [616.93; 794.43] |
|
| Cp,gas | 510.95 | J/mol×K | 616.93 | Joback Calculated Property |
| Cp,gas | 522.72 | J/mol×K | 646.51 | Joback Calculated Property |
| Cp,gas | 533.72 | J/mol×K | 676.10 | Joback Calculated Property |
| Cp,gas | 543.98 | J/mol×K | 705.68 | Joback Calculated Property |
| Cp,gas | 553.54 | J/mol×K | 735.27 | Joback Calculated Property |
| Cp,gas | 562.41 | J/mol×K | 764.85 | Joback Calculated Property |
| Cp,gas | 570.63 | J/mol×K | 794.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dimethoxyphenol,heptafluorobutyrate.
Sources
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