- InChI
- InChI=1S/C21H32ClNO4/c1-3-4-5-6-7-8-9-15-27-21(25)12-10-11-20(24)23-18-16-17(22)13-14-19(18)26-2/h13-14,16H,3-12,15H2,1-2H3,(H,23,24)
- InChI Key
- IHKKLQJXTJDSLF-UHFFFAOYSA-N
- Formula
- C21H32ClNO4
- SMILES
-
CCCCCCCCCOC(=O)CCCC(=O)Nc1cc(C
l)ccc1OC - Molecular Weight1
- 397.94
- 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).
- 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 |
|---|---|---|---|
| ω | 1.0991 | Relay (1.0) Calculated Property | |
| ΔfG° | -171.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -861.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.751 | Crippen Calculated Property | |
| McVol | 320.090 | ml/mol | McGowan Calculated Property |
| Pc | 1218.29 | kPa | Joback Calculated Property |
| Inp | 3303.00 | NIST | |
| Tboil | 676.57 | K | Relay (1.0) Calculated Property |
| Tc | 912.09 | K | Relay (1.0) Calculated Property |
| Tfus | 358.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.173 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1021.37; 1087.55] | J/mol×K | [956.70; 1172.50] | 
|
| Cp,gas | 1021.37 | J/mol×K | 956.70 | Joback Calculated Property |
| Cp,gas | 1035.59 | J/mol×K | 992.67 | Joback Calculated Property |
| Cp,gas | 1048.50 | J/mol×K | 1028.63 | Joback Calculated Property |
| Cp,gas | 1060.12 | J/mol×K | 1064.60 | Joback Calculated Property |
| Cp,gas | 1070.48 | J/mol×K | 1100.57 | Joback Calculated Property |
| Cp,gas | 1079.61 | J/mol×K | 1136.53 | Joback Calculated Property |
| Cp,gas | 1087.55 | J/mol×K | 1172.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, nonyl ester.
Sources
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