- InChI
- InChI=1S/C13H6F10O4/c1-5-6(26-8(24)10(14,15)12(18,19)20)3-2-4-7(5)27-9(25)11(16,17)13(21,22)23/h2-4H,1H3
- InChI Key
- NPZQBNXXIOBJDN-UHFFFAOYSA-N
- Formula
- C13H6F10O4
- SMILES
-
Cc1c(OC(=O)C(F)(F)C(F)(F)F)ccc
c1OC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 416.17
- 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 | 0.6865 | Relay (1.0) Calculated Property | |
| ΔfG° | -2252.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2734.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.201 | Crippen Calculated Property | |
| McVol | 202.850 | ml/mol | McGowan Calculated Property |
| Pc | 1670.06 | kPa | Joback Calculated Property |
| Inp | [1098.00; 1098.00] |
|
|
| Inp | 1098.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Tboil | 487.93 | K | Relay (1.0) Calculated Property |
| Tc | 664.32 | K | Relay (1.0) Calculated Property |
| Tfus | 337.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.772 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [578.94; 628.77] | J/mol×K | [665.84; 839.39] |
|
| Cp,gas | 578.94 | J/mol×K | 665.84 | Joback Calculated Property |
| Cp,gas | 589.07 | J/mol×K | 694.76 | Joback Calculated Property |
| Cp,gas | 598.40 | J/mol×K | 723.69 | Joback Calculated Property |
| Cp,gas | 606.99 | J/mol×K | 752.61 | Joback Calculated Property |
| Cp,gas | 614.88 | J/mol×K | 781.54 | Joback Calculated Property |
| Cp,gas | 622.12 | J/mol×K | 810.46 | Joback Calculated Property |
| Cp,gas | 628.77 | J/mol×K | 839.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylresorcinol, bis(pentafluoropropionate).
Sources
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