- InChI
- InChI=1S/C17H21NO4/c1-2-3-4-12-21-16(19)6-5-7-17(20)22-15-10-8-14(13-18)9-11-15/h8-11H,2-7,12H2,1H3
- InChI Key
- VEAFCYKFLPSZJY-UHFFFAOYSA-N
- Formula
- C17H21NO4
- SMILES
-
CCCCCOC(=O)CCCC(=O)Oc1ccc(C#N)
cc1 - Molecular Weight1
- 303.35
- 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° | -139.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -493.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.16 | kJ/mol | Joback Calculated Property |
| log10WS | -4.35 | Crippen Calculated Property | |
| logPoct/wat | 3.367 | Crippen Calculated Property | |
| McVol | 242.890 | ml/mol | McGowan Calculated Property |
| Pc | 1643.09 | kPa | Joback Calculated Property |
| Inp | 2454.00 | NIST | |
| Tboil | 874.68 | K | Joback Calculated Property |
| Tc | 1088.63 | K | Joback Calculated Property |
| Tfus | 529.60 | K | Joback Calculated Property |
| Vc | 0.954 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [727.77; 785.94] | J/mol×K | [874.68; 1088.63] | 
|
| Cp,gas | 727.77 | J/mol×K | 874.68 | Joback Calculated Property |
| Cp,gas | 740.06 | J/mol×K | 910.34 | Joback Calculated Property |
| Cp,gas | 751.30 | J/mol×K | 946.00 | Joback Calculated Property |
| Cp,gas | 761.49 | J/mol×K | 981.66 | Joback Calculated Property |
| Cp,gas | 770.65 | J/mol×K | 1017.32 | Joback Calculated Property |
| Cp,gas | 778.79 | J/mol×K | 1052.97 | Joback Calculated Property |
| Cp,gas | 785.94 | J/mol×K | 1088.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 4-cyanophenyl pentyl ester.
Sources
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