- InChI
- InChI=1S/C9H6F6N2O/c10-8(11,12)5-1-4(7(18)17-16)2-6(3-5)9(13,14)15/h1-3H,16H2,(H,17,18)
- InChI Key
- GBBRFBSFWKFTMZ-UHFFFAOYSA-N
- Formula
- C9H6F6N2O
- SMILES
-
NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F
)F)c1 - Molecular Weight1
- 272.15
- CAS
- 26107-82-4
- Other Names
-
- 3,5-di(Trifluoromethyl)benzhydrazide
- Benzoic acid, 3,5-bis(trifluoromethyl)-, hydrazide
- 3,5-Bis(trifluoromethyl)benzoylhydrazine
- 3,5-bis(trifluoromethyl)benzohydrazide
- 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).
- 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 | 0.6223 | Relay (1.0) Calculated Property | |
| ΔfG° | -1018.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1299.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.328 | Crippen Calculated Property | |
| McVol | 146.060 | ml/mol | McGowan Calculated Property |
| Pc | 2829.33 | kPa | Joback Calculated Property |
| Tboil | 525.16 | K | Relay (1.0) Calculated Property |
| Tc | 775.80 | K | Relay (1.0) Calculated Property |
| Tfus | 416.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.539 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [388.45; 436.56] | J/mol×K | [607.69; 802.06] | 
|
| Cp,gas | 388.45 | J/mol×K | 607.69 | Joback Calculated Property |
| Cp,gas | 398.26 | J/mol×K | 640.09 | Joback Calculated Property |
| Cp,gas | 407.29 | J/mol×K | 672.48 | Joback Calculated Property |
| Cp,gas | 415.58 | J/mol×K | 704.88 | Joback Calculated Property |
| Cp,gas | 423.18 | J/mol×K | 737.27 | Joback Calculated Property |
| Cp,gas | 430.16 | J/mol×K | 769.67 | Joback Calculated Property |
| Cp,gas | 436.56 | J/mol×K | 802.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Bis(trifluoromethyl)benzhydrazide.
Sources
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