- InChI
- InChI=1S/C16H21NO5/c1-10(17(5)11(2)18)8-14-9-15(21-12(3)19)6-7-16(14)22-13(4)20/h6-7,9-10H,8H2,1-5H3
- InChI Key
- SMRJGNPFZITSMB-UHFFFAOYSA-N
- Formula
- C16H21NO5
- SMILES
-
CC(=O)Oc1ccc(OC(C)=O)c(CC(C)N(
C)C(C)=O)c1 - Molecular Weight1
- 307.34
- 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 | 0.8180 | Relay (... Calculated Property | |
| ΔfG° | -311.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -886.77 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.68 | kJ/mol | Relay (... Calculated Property |
| IE | 8.07 | eV | Relay (... Calculated Property |
| log10WS | -1.72 | Relay (... Calculated Property | |
| logPoct/wat | 1.947 | Crippen Calculated Property | |
| McVol | 238.970 | ml/mol | McGowan Calculated Property |
| Pc | 1903.58 | kPa | Joback Calculated Property |
| Inp | 2190.00 | NIST | |
| Tboil | 614.80 | K | Relay (... Calculated Property |
| Tc | 830.67 | K | Relay (... Calculated Property |
| Tfus | 374.60 | K | Relay (... Calculated Property |
| Vc | 0.866 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [704.62; 770.09] | J/mol×K | [820.57; 1031.04] | 
|
| Cp,gas | 704.62 | J/mol×K | 820.57 | Joback Calculated Property |
| Cp,gas | 718.19 | J/mol×K | 855.65 | Joback Calculated Property |
| Cp,gas | 730.68 | J/mol×K | 890.73 | Joback Calculated Property |
| Cp,gas | 742.10 | J/mol×K | 925.80 | Joback Calculated Property |
| Cp,gas | 752.47 | J/mol×K | 960.88 | Joback Calculated Property |
| Cp,gas | 761.79 | J/mol×K | 995.96 | Joback Calculated Property |
| Cp,gas | 770.09 | J/mol×K | 1031.04 | Joback Calculated Property |
Similar Compounds
Sources
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