- InChI
- InChI=1S/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3
- InChI Key
- IQADUMSPOQKAAO-UHFFFAOYSA-N
- Formula
- C20H33NO3
- SMILES
-
CCN(CC)CCOCCOC(=O)C(CC)(CC)c1c
cccc1 - Molecular Weight1
- 335.48
- CAS
- 468-61-1
- Other Names
-
- Benzeneacetic acid, «alpha»,«alpha»-diethyl-, 2-[2-(diethylamino)ethoxy]ethyl ester
- Butyric acid, 2-ethyl-2-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl ester
- 2-(2-Diethylaminoethoxy)ethyl «alpha»,«alpha»-diethylphenylacetate
- 2-(2-Diethylaminoethoxy)ethyl 2-ethyl-2-phenylbutyrate
- «alpha»,«alpha»-Diethylbenzeneacetic acid 2-(2-(diethylamino)ethoxy)ethyl ester
- Ethanol, 2-(2-(diethylamino)ethoxy)-, 2-ethyl-2-phenylbutyrate
- 2-Ethyl-2-phenylbutyric acid 2-(2-diethylaminoethoxy)ethyl ester
- 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).
- 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 | 0.8068 | Relay (1.0) Calculated Property | |
| ΔfG° | 4.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -580.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.646 | Crippen Calculated Property | |
| McVol | 292.190 | ml/mol | McGowan Calculated Property |
| Pc | 1311.80 | kPa | Joback Calculated Property |
| Tboil | 629.09 | K | Relay (1.0) Calculated Property |
| Tc | 823.69 | K | Relay (1.0) Calculated Property |
| Tfus | 330.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.035 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [900.81; 993.57] | J/mol×K | [791.60; 987.86] | 
|
| Cp,gas | 900.81 | J/mol×K | 791.60 | Joback Calculated Property |
| Cp,gas | 918.98 | J/mol×K | 824.31 | Joback Calculated Property |
| Cp,gas | 936.00 | J/mol×K | 857.02 | Joback Calculated Property |
| Cp,gas | 951.92 | J/mol×K | 889.73 | Joback Calculated Property |
| Cp,gas | 966.78 | J/mol×K | 922.44 | Joback Calculated Property |
| Cp,gas | 980.65 | J/mol×K | 955.15 | Joback Calculated Property |
| Cp,gas | 993.57 | J/mol×K | 987.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxeladin.
Sources
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