- InChI
- InChI=1S/C16H31NO3/c1-5-14(6-2)17-15(18)10-7-11-16(19)20-12-8-9-13(3)4/h13-14H,5-12H2,1-4H3,(H,17,18)
- InChI Key
- KFOMTYCXPIAJFQ-UHFFFAOYSA-N
- Formula
- C16H31NO3
- SMILES
- CCC(CC)NC(=O)CCCC(=O)OCCCC(C)C
- Molecular Weight1
- 285.42
- 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 | 0.8324 | Relay (... Calculated Property | |
| ΔfG° | -194.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -862.67 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.11 | kJ/mol | Relay (... Calculated Property |
| IE | 8.69 | eV | Relay (... Calculated Property |
| log10WS | -3.30 | Relay (... Calculated Property | |
| logPoct/wat | 3.441 | Crippen Calculated Property | |
| McVol | 255.290 | ml/mol | McGowan Calculated Property |
| Pc | 1461.25 | kPa | Joback Calculated Property |
| Inp | 2071.00 | NIST | |
| Tboil | 584.80 | K | Relay (... Calculated Property |
| Tc | 774.55 | K | Relay (... Calculated Property |
| Tfus | 286.00 | K | Relay (... Calculated Property |
| Vc | 0.938 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [765.84; 853.24] | J/mol×K | [744.93; 928.31] | 
|
| Cp,gas | 765.84 | J/mol×K | 744.93 | Joback Calculated Property |
| Cp,gas | 782.60 | J/mol×K | 775.49 | Joback Calculated Property |
| Cp,gas | 798.46 | J/mol×K | 806.06 | Joback Calculated Property |
| Cp,gas | 813.43 | J/mol×K | 836.62 | Joback Calculated Property |
| Cp,gas | 827.53 | J/mol×K | 867.19 | Joback Calculated Property |
| Cp,gas | 840.80 | J/mol×K | 897.75 | Joback Calculated Property |
| Cp,gas | 853.24 | J/mol×K | 928.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(3-pentyl)-, isohexyl ester.
Sources
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