- InChI
- InChI=1S/C19H29NO4/c1-15(2)6-5-13-24-19(22)8-4-7-18(21)20-14-16-9-11-17(23-3)12-10-16/h9-12,15H,4-8,13-14H2,1-3H3,(H,20,21)
- InChI Key
- YHEFSYSQAPNFJM-UHFFFAOYSA-N
- Formula
- C19H29NO4
- SMILES
-
COc1ccc(CNC(=O)CCCC(=O)OCCCC(C
)C)cc1 - Molecular Weight1
- 335.44
- 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 | 0.9471 | Relay (1.0) Calculated Property | |
| ΔfG° | -169.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -787.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.461 | Crippen Calculated Property | |
| McVol | 279.670 | ml/mol | McGowan Calculated Property |
| Pc | 1464.61 | kPa | Joback Calculated Property |
| Inp | 2756.00 | NIST | |
| Tboil | 664.77 | K | Relay (1.0) Calculated Property |
| Tc | 869.81 | K | Relay (1.0) Calculated Property |
| Tfus | 337.80 | K | Relay (1.0) Calculated Property |
| Vc | 1.014 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [878.35; 952.31] | J/mol×K | [868.09; 1073.67] | 
|
| Cp,gas | 878.35 | J/mol×K | 868.09 | Joback Calculated Property |
| Cp,gas | 893.55 | J/mol×K | 902.35 | Joback Calculated Property |
| Cp,gas | 907.56 | J/mol×K | 936.62 | Joback Calculated Property |
| Cp,gas | 920.42 | J/mol×K | 970.88 | Joback Calculated Property |
| Cp,gas | 932.15 | J/mol×K | 1005.14 | Joback Calculated Property |
| Cp,gas | 942.77 | J/mol×K | 1039.41 | Joback Calculated Property |
| Cp,gas | 952.31 | J/mol×K | 1073.67 | Joback Calculated Property |
Similar Compounds
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Sources
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