- InChI
- InChI=1S/C13H18ClNO2/c1-4-5-9(2)13(16)15-11-8-10(14)6-7-12(11)17-3/h6-9H,4-5H2,1-3H3,(H,15,16)
- InChI Key
- YFWAXWYCHZLBET-UHFFFAOYSA-N
- Formula
- C13H18ClNO2
- SMILES
- CCCC(C)C(=O)Nc1cc(Cl)ccc1OC
- Molecular Weight1
- 255.74
- CAS
- 209683-34-1
- 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 | 0.6732 | Relay (... Calculated Property | |
| ΔfG° | -7.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -397.91 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.00 | kJ/mol | Relay (... Calculated Property |
| IE | 8.01 | eV | Relay (... Calculated Property |
| log10WS | -3.78 | Relay (... Calculated Property | |
| logPoct/wat | 3.723 | Crippen Calculated Property | |
| McVol | 199.930 | ml/mol | McGowan Calculated Property |
| Pc | 2193.84 | kPa | Joback Calculated Property |
| Tboil | 581.83 | K | Relay (... Calculated Property |
| Tc | 820.69 | K | Relay (... Calculated Property |
| Tfus | 351.54 | K | Relay (... Calculated Property |
| Vc | 0.702 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [523.63; 596.43] | J/mol×K | [696.93; 908.92] | 
|
| Cp,gas | 523.63 | J/mol×K | 696.93 | Joback Calculated Property |
| Cp,gas | 537.94 | J/mol×K | 732.26 | Joback Calculated Property |
| Cp,gas | 551.36 | J/mol×K | 767.59 | Joback Calculated Property |
| Cp,gas | 563.90 | J/mol×K | 802.93 | Joback Calculated Property |
| Cp,gas | 575.57 | J/mol×K | 838.26 | Joback Calculated Property |
| Cp,gas | 586.41 | J/mol×K | 873.59 | Joback Calculated Property |
| Cp,gas | 596.43 | J/mol×K | 908.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5'-Chloro-2'-methoxy-2-methylvaleranilide.
Sources
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