- InChI
- InChI=1S/C17H25NO4/c1-13(2)12-22-17(20)6-4-5-16(19)18-11-14-7-9-15(21-3)10-8-14/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)
- InChI Key
- WWWWDZQHUWQXNG-UHFFFAOYSA-N
- Formula
- C17H25NO4
- SMILES
-
COc1ccc(CNC(=O)CCCC(=O)OCC(C)C
)cc1 - Molecular Weight1
- 307.38
- 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 | 0.8748 | Relay (1.0) Calculated Property | |
| ΔfG° | -185.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -742.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.681 | Crippen Calculated Property | |
| McVol | 251.490 | ml/mol | McGowan Calculated Property |
| Pc | 1706.12 | kPa | Joback Calculated Property |
| Inp | 2560.00 | NIST | |
| Tboil | 650.71 | K | Relay (1.0) Calculated Property |
| Tc | 852.41 | K | Relay (1.0) Calculated Property |
| Tfus | 340.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.917 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [762.10; 834.88] | J/mol×K | [822.33; 1027.63] | 
|
| Cp,gas | 762.10 | J/mol×K | 822.33 | Joback Calculated Property |
| Cp,gas | 776.91 | J/mol×K | 856.55 | Joback Calculated Property |
| Cp,gas | 790.62 | J/mol×K | 890.76 | Joback Calculated Property |
| Cp,gas | 803.26 | J/mol×K | 924.98 | Joback Calculated Property |
| Cp,gas | 814.83 | J/mol×K | 959.20 | Joback Calculated Property |
| Cp,gas | 825.37 | J/mol×K | 993.42 | Joback Calculated Property |
| Cp,gas | 834.88 | J/mol×K | 1027.63 | Joback Calculated Property |
Similar Compounds
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Sources
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