- InChI
- InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3
- InChI Key
- YLPGTOIOYRQOHV-UHFFFAOYSA-N
- Formula
- C17H26ClNO2
- SMILES
-
CCCOCCN(C(=O)CCl)c1c(CC)cccc1C
C - Molecular Weight1
- 311.85
- CAS
- 81690-06-4
- 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° | 50.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -373.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.62 | kJ/mol | Joback Calculated Property |
| log10WS | -4.09 | Crippen Calculated Property | |
| logPoct/wat | 3.810 | Crippen Calculated Property | |
| McVol | 256.290 | ml/mol | McGowan Calculated Property |
| Pc | 1547.57 | kPa | Joback Calculated Property |
| Inp | [2165.00; 2174.00] |
|
|
| Inp | 2165.00 | NIST | |
| Inp | 2173.00 | NIST | |
| Inp | 2174.00 | NIST | |
| Inp | 2165.00 | NIST | |
| Tboil | 751.16 | K | Joback Calculated Property |
| Tc | 948.70 | K | Joback Calculated Property |
| Tfus | 467.36 | K | Joback Calculated Property |
| Vc | 0.971 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [725.34; 808.95] | J/mol×K | [751.16; 948.70] |
|
| Cp,gas | 725.34 | J/mol×K | 751.16 | Joback Calculated Property |
| Cp,gas | 741.61 | J/mol×K | 784.08 | Joback Calculated Property |
| Cp,gas | 756.90 | J/mol×K | 817.01 | Joback Calculated Property |
| Cp,gas | 771.25 | J/mol×K | 849.93 | Joback Calculated Property |
| Cp,gas | 784.69 | J/mol×K | 882.85 | Joback Calculated Property |
| Cp,gas | 797.24 | J/mol×K | 915.78 | Joback Calculated Property |
| Cp,gas | 808.95 | J/mol×K | 948.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pretilachlor.
Sources
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