- InChI
- InChI=1S/C16H22ClNO3/c1-2-3-6-12-21-16(20)11-7-10-15(19)18-14-9-5-4-8-13(14)17/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,18,19)
- InChI Key
- AISZWEYBNZLFAE-UHFFFAOYSA-N
- Formula
- C16H22ClNO3
- SMILES
- CCCCCOC(=O)CCCC(=O)Nc1ccccc1Cl
- Molecular Weight1
- 311.80
- 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° | -98.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -468.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.87 | kJ/mol | Joback Calculated Property |
| log10WS | -4.57 | Crippen Calculated Property | |
| logPoct/wat | 4.182 | Crippen Calculated Property | |
| McVol | 243.770 | ml/mol | McGowan Calculated Property |
| Pc | 1806.16 | kPa | Joback Calculated Property |
| Inp | 2771.00 | NIST | |
| Tboil | 814.90 | K | Joback Calculated Property |
| Tc | 1022.88 | K | Joback Calculated Property |
| Tfus | 513.69 | K | Joback Calculated Property |
| Vc | 0.938 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [702.86; 770.82] | J/mol×K | [814.90; 1022.88] | 
|
| Cp,gas | 702.86 | J/mol×K | 814.90 | Joback Calculated Property |
| Cp,gas | 716.54 | J/mol×K | 849.56 | Joback Calculated Property |
| Cp,gas | 729.23 | J/mol×K | 884.23 | Joback Calculated Property |
| Cp,gas | 740.98 | J/mol×K | 918.89 | Joback Calculated Property |
| Cp,gas | 751.80 | J/mol×K | 953.55 | Joback Calculated Property |
| Cp,gas | 761.74 | J/mol×K | 988.22 | Joback Calculated Property |
| Cp,gas | 770.82 | J/mol×K | 1022.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(2-chlorophenyl)-, pentyl ester.
Sources
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