- InChI
- InChI=1S/C16H22ClNO4/c1-3-4-10-22-16(20)7-5-6-15(19)18-13-11-12(17)8-9-14(13)21-2/h8-9,11H,3-7,10H2,1-2H3,(H,18,19)
- InChI Key
- KDYIMGJCFBCQHH-UHFFFAOYSA-N
- Formula
- C16H22ClNO4
- SMILES
-
CCCCOC(=O)CCCC(=O)Nc1cc(Cl)ccc
1OC - Molecular Weight1
- 327.80
- 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° | -213.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -611.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.94 | kJ/mol | Joback Calculated Property |
| log10WS | -4.27 | Crippen Calculated Property | |
| logPoct/wat | 3.801 | Crippen Calculated Property | |
| McVol | 249.640 | ml/mol | McGowan Calculated Property |
| Pc | 1758.02 | kPa | Joback Calculated Property |
| Inp | 2791.00 | NIST | |
| Tboil | 842.30 | K | Joback Calculated Property |
| Tc | 1050.93 | K | Joback Calculated Property |
| Tfus | 548.44 | K | Joback Calculated Property |
| Vc | 0.956 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [728.91; 792.56] | J/mol×K | [842.30; 1050.93] | 
|
| Cp,gas | 728.91 | J/mol×K | 842.30 | Joback Calculated Property |
| Cp,gas | 742.08 | J/mol×K | 877.07 | Joback Calculated Property |
| Cp,gas | 754.21 | J/mol×K | 911.84 | Joback Calculated Property |
| Cp,gas | 765.31 | J/mol×K | 946.62 | Joback Calculated Property |
| Cp,gas | 775.39 | J/mol×K | 981.39 | Joback Calculated Property |
| Cp,gas | 784.47 | J/mol×K | 1016.16 | Joback Calculated Property |
| Cp,gas | 792.56 | J/mol×K | 1050.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, butyl ester.
Sources
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