- InChI
- InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-
- InChI Key
- ZXQYGBMAQZUVMI-UNOMPAQXSA-N
- Formula
- C23H19ClF3NO3
- SMILES
-
CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O
)OC(C#N)c1cccc(Oc2ccccc2)c1 - Molecular Weight1
- 449.85
- 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 | 0.7461 | Relay (... Calculated Property | |
| ΔfG° | -332.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -849.01 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 43.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.80 | kJ/mol | Relay (... Calculated Property |
| IE | 8.58 | eV | Relay (... Calculated Property |
| log10WS | -7.65 | Relay (... Calculated Property | |
| logPoct/wat | 6.544 | Crippen Calculated Property | |
| McVol | 304.490 | ml/mol | McGowan Calculated Property |
| Pc | 1318.48 | kPa | Joback Calculated Property |
| Inp | [2572.00; 2574.00] |
|
|
| Inp | 2574.00 | NIST | |
| Inp | 2572.00 | NIST | |
| Tboil | 657.55 | K | Relay (... Calculated Property |
| Tc | 937.09 | K | Relay (... Calculated Property |
| Tfus | 362.58 | K | Relay (... Calculated Property |
| Vc | 1.032 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [977.31; 1097.78] | J/mol×K | [1018.02; 1260.66] |
|
| Cp,gas | 977.31 | J/mol×K | 1018.02 | Joback Calculated Property |
| Cp,gas | 995.35 | J/mol×K | 1058.46 | Joback Calculated Property |
| Cp,gas | 1013.87 | J/mol×K | 1098.90 | Joback Calculated Property |
| Cp,gas | 1033.11 | J/mol×K | 1139.34 | Joback Calculated Property |
| Cp,gas | 1053.34 | J/mol×K | 1179.78 | Joback Calculated Property |
| Cp,gas | 1074.81 | J/mol×K | 1220.22 | Joback Calculated Property |
| Cp,gas | 1097.78 | J/mol×K | 1260.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyhalothrin, isomer 1.
Sources
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