- InChI
- InChI=1S/C17H24ClNO3/c1-13(2)5-4-12-22-17(21)7-3-6-16(20)19-15-10-8-14(18)9-11-15/h8-11,13H,3-7,12H2,1-2H3,(H,19,20)
- InChI Key
- XHUIJJFCPBRJTN-UHFFFAOYSA-N
- Formula
- C17H24ClNO3
- SMILES
-
CC(C)CCCOC(=O)CCCC(=O)Nc1ccc(C
l)cc1 - Molecular Weight1
- 325.83
- 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 | 0.8720 | Relay (1.0) Calculated Property | |
| ΔfG° | -92.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -670.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.428 | Crippen Calculated Property | |
| McVol | 257.860 | ml/mol | McGowan Calculated Property |
| Pc | 1678.28 | kPa | Joback Calculated Property |
| Inp | 2797.00 | NIST | |
| Tboil | 647.09 | K | Relay (1.0) Calculated Property |
| Tc | 878.33 | K | Relay (1.0) Calculated Property |
| Tfus | 363.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.922 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [760.05; 829.63] | J/mol×K | [837.34; 1046.90] | 
|
| Cp,gas | 760.05 | J/mol×K | 837.34 | Joback Calculated Property |
| Cp,gas | 774.14 | J/mol×K | 872.27 | Joback Calculated Property |
| Cp,gas | 787.19 | J/mol×K | 907.19 | Joback Calculated Property |
| Cp,gas | 799.23 | J/mol×K | 942.12 | Joback Calculated Property |
| Cp,gas | 810.29 | J/mol×K | 977.05 | Joback Calculated Property |
| Cp,gas | 820.41 | J/mol×K | 1011.97 | Joback Calculated Property |
| Cp,gas | 829.63 | J/mol×K | 1046.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(4-chlorophenyl)-, isohexyl ester.
Sources
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