- InChI
- InChI=1S/C12H12F5NO/c1-5(2)3-4-18-12(19)6-7(13)9(15)11(17)10(16)8(6)14/h5H,3-4H2,1-2H3,(H,18,19)
- InChI Key
- OAOMPSPVLQFKQN-UHFFFAOYSA-N
- Formula
- C12H12F5NO
- SMILES
-
CC(C)CCNC(=O)c1c(F)c(F)c(F)c(F
)c1F - Molecular Weight1
- 281.22
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -901.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1156.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.60 | kJ/mol | Joback Calculated Property |
| log10WS | -4.91 | Crippen Calculated Property | |
| logPoct/wat | 3.158 | Crippen Calculated Property | |
| McVol | 176.580 | ml/mol | McGowan Calculated Property |
| Pc | 1966.56 | kPa | Joback Calculated Property |
| Inp | [1570.00; 1570.00] |
|
|
| Inp | 1570.00 | NIST | |
| Inp | 1570.00 | NIST | |
| Tboil | 625.49 | K | Joback Calculated Property |
| Tc | 801.69 | K | Joback Calculated Property |
| Tfus | 404.56 | K | Joback Calculated Property |
| Vc | 0.725 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [458.14; 519.28] | J/mol×K | [625.49; 801.69] |
|
| Cp,gas | 458.14 | J/mol×K | 625.49 | Joback Calculated Property |
| Cp,gas | 469.68 | J/mol×K | 654.86 | Joback Calculated Property |
| Cp,gas | 480.66 | J/mol×K | 684.22 | Joback Calculated Property |
| Cp,gas | 491.10 | J/mol×K | 713.59 | Joback Calculated Property |
| Cp,gas | 501.01 | J/mol×K | 742.96 | Joback Calculated Property |
| Cp,gas | 510.40 | J/mol×K | 772.33 | Joback Calculated Property |
| Cp,gas | 519.28 | J/mol×K | 801.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, pentafluoro-N-(3-methylbutyl)-.
Sources
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