- InChI
- InChI=1S/C20H26ClNO4/c21-14-5-3-1-2-4-6-15-25-19(23)8-7-9-20(24)26-18-12-10-17(16-22)11-13-18/h10-13H,1-9,14-15H2
- InChI Key
- XKNVCOJOKRGADV-UHFFFAOYSA-N
- Formula
- C20H26ClNO4
- SMILES
-
N#Cc1ccc(OC(=O)CCCC(=O)OCCCCCC
CCCl)cc1 - Molecular Weight1
- 379.88
- 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 | 1.0724 | Relay (1.0) Calculated Property | |
| ΔfG° | -126.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -715.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.757 | Crippen Calculated Property | |
| McVol | 297.400 | ml/mol | McGowan Calculated Property |
| Pc | 1282.83 | kPa | Joback Calculated Property |
| Inp | 3086.00 | NIST | |
| Tboil | 680.72 | K | Relay (1.0) Calculated Property |
| Tc | 913.80 | K | Relay (1.0) Calculated Property |
| Tfus | 333.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.086 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [923.14; 975.68] | J/mol×K | [980.75; 1203.50] | 
|
| Cp,gas | 923.14 | J/mol×K | 980.75 | Joback Calculated Property |
| Cp,gas | 934.86 | J/mol×K | 1017.88 | Joback Calculated Property |
| Cp,gas | 945.36 | J/mol×K | 1055.00 | Joback Calculated Property |
| Cp,gas | 954.66 | J/mol×K | 1092.13 | Joback Calculated Property |
| Cp,gas | 962.79 | J/mol×K | 1129.25 | Joback Calculated Property |
| Cp,gas | 969.79 | J/mol×K | 1166.38 | Joback Calculated Property |
| Cp,gas | 975.68 | J/mol×K | 1203.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl 4-cyanophenyl ester.
Sources
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