- InChI
- InChI=1S/C12H10F7NO3/c1-22-6-3-4-8(23-2)7(5-6)20-9(21)10(13,14)11(15,16)12(17,18)19/h3-5H,1-2H3,(H,20,21)
- InChI Key
- QKDMKFZROUUMBQ-UHFFFAOYSA-N
- Formula
- C12H10F7NO3
- SMILES
-
COc1ccc(OC)c(NC(=O)C(F)(F)C(F)
(F)C(F)(F)F)c1 - Molecular Weight1
- 349.20
- 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 | 0.6951 | Relay (... Calculated Property | |
| ΔfG° | -1461.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1881.38 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 28.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.49 | kJ/mol | Relay (... Calculated Property |
| IE | 8.38 | eV | Relay (... Calculated Property |
| log10WS | -4.56 | Relay (... Calculated Property | |
| logPoct/wat | 3.475 | Crippen Calculated Property | |
| McVol | 191.860 | ml/mol | McGowan Calculated Property |
| Pc | 1915.26 | kPa | Joback Calculated Property |
| Inp | 1476.00 | NIST | |
| Tboil | 540.32 | K | Relay (... Calculated Property |
| Tc | 719.99 | K | Relay (... Calculated Property |
| Tfus | 349.92 | K | Relay (... Calculated Property |
| Vc | 0.694 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [536.34; 594.79] | J/mol×K | [644.68; 824.93] | 
|
| Cp,gas | 536.34 | J/mol×K | 644.68 | Joback Calculated Property |
| Cp,gas | 547.97 | J/mol×K | 674.72 | Joback Calculated Property |
| Cp,gas | 558.80 | J/mol×K | 704.76 | Joback Calculated Property |
| Cp,gas | 568.85 | J/mol×K | 734.80 | Joback Calculated Property |
| Cp,gas | 578.17 | J/mol×K | 764.84 | Joback Calculated Property |
| Cp,gas | 586.81 | J/mol×K | 794.89 | Joback Calculated Property |
| Cp,gas | 594.79 | J/mol×K | 824.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanamide, N-(2,5-dimethoxyphenyl)-2,2,3,3,4,4,4-heptafluoro-.
Sources
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