- InChI
- InChI=1S/C16H23NO5/c1-6-12-9-14(20-4)13(7-8-17-10(2)18)16(15(12)21-5)22-11(3)19/h9H,6-8H2,1-5H3,(H,17,18)
- InChI Key
- FFWYQVFBYRDZPF-UHFFFAOYSA-N
- Formula
- C16H23NO5
- SMILES
-
CCc1cc(OC)c(CCNC(C)=O)c(OC(C)=
O)c1OC - Molecular Weight1
- 309.36
- 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 | 0.9058 | Relay (... Calculated Property | |
| ΔfG° | -325.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -831.43 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 41.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.92 | kJ/mol | Relay (... Calculated Property |
| IE | 7.70 | eV | Relay (... Calculated Property |
| log10WS | -2.23 | Relay (... Calculated Property | |
| logPoct/wat | 1.870 | Crippen Calculated Property | |
| McVol | 243.270 | ml/mol | McGowan Calculated Property |
| Pc | 1743.37 | kPa | Joback Calculated Property |
| Inp | 2340.00 | NIST | |
| Tboil | 629.65 | K | Relay (... Calculated Property |
| Tc | 857.28 | K | Relay (... Calculated Property |
| Tfus | 376.99 | K | Relay (... Calculated Property |
| Vc | 0.886 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [729.35; 794.92] | J/mol×K | [837.25; 1043.33] | 
|
| Cp,gas | 729.35 | J/mol×K | 837.25 | Joback Calculated Property |
| Cp,gas | 743.06 | J/mol×K | 871.60 | Joback Calculated Property |
| Cp,gas | 755.68 | J/mol×K | 905.94 | Joback Calculated Property |
| Cp,gas | 767.19 | J/mol×K | 940.29 | Joback Calculated Property |
| Cp,gas | 777.58 | J/mol×K | 974.64 | Joback Calculated Property |
| Cp,gas | 786.83 | J/mol×K | 1008.98 | Joback Calculated Property |
| Cp,gas | 794.92 | J/mol×K | 1043.33 | Joback Calculated Property |
Similar Compounds
Sources
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