- InChI
- InChI=1S/C23H21Cl2NO3/c1-23(2)19(12-20(24)25)21(23)22(27)28-14-16(13-26)15-7-6-10-18(11-15)29-17-8-4-3-5-9-17/h3-12,16,19,21H,14H2,1-2H3
- InChI Key
- IHURASJUJKICJC-UHFFFAOYSA-N
- Formula
- C23H21Cl2NO3
- SMILES
-
CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC(C
#N)c1cccc(Oc2ccccc2)c1 - Molecular Weight1
- 430.32
- 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° | 237.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.61 | kJ/mol | Joback Calculated Property |
| log10WS | -6.69 | Crippen Calculated Property | |
| logPoct/wat | 6.220 | Crippen Calculated Property | |
| McVol | 311.420 | ml/mol | McGowan Calculated Property |
| Pc | 1397.50 | kPa | Joback Calculated Property |
| Inp | [2845.00; 2850.00] |
|
|
| Inp | 2850.00 | NIST | |
| Inp | 2845.00 | NIST | |
| Inp | 2850.00 | NIST | |
| Tboil | 1060.87 | K | Joback Calculated Property |
| Tc | 1317.23 | K | Joback Calculated Property |
| Tfus | 632.87 | K | Joback Calculated Property |
| Vc | 1.202 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [982.34; 1114.54] | J/mol×K | [1060.87; 1317.23] |
|
| Cp,gas | 982.34 | J/mol×K | 1060.87 | Joback Calculated Property |
| Cp,gas | 1001.95 | J/mol×K | 1103.60 | Joback Calculated Property |
| Cp,gas | 1022.17 | J/mol×K | 1146.32 | Joback Calculated Property |
| Cp,gas | 1043.27 | J/mol×K | 1189.05 | Joback Calculated Property |
| Cp,gas | 1065.53 | J/mol×K | 1231.78 | Joback Calculated Property |
| Cp,gas | 1089.19 | J/mol×K | 1274.50 | Joback Calculated Property |
| Cp,gas | 1114.54 | J/mol×K | 1317.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cypermethrin, isomer 3.
Sources
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