- InChI
- InChI=1S/C11H13NO4/c1-8(13)16-7-11(14)12-9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3,(H,12,14)
- InChI Key
- CLMGQGQQLDVOCU-UHFFFAOYSA-N
- Formula
- C11H13NO4
- SMILES
- COc1ccc(NC(=O)COC(C)=O)cc1
- Molecular Weight1
- 223.23
- 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 | 0.7128 | Relay (1.0) Calculated Property | |
| ΔfG° | -233.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -593.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.197 | Crippen Calculated Property | |
| McVol | 166.950 | ml/mol | McGowan Calculated Property |
| Pc | 2912.39 | kPa | Joback Calculated Property |
| Inp | 1901.00 | NIST | |
| Tboil | 601.10 | K | Relay (1.0) Calculated Property |
| Tc | 819.76 | K | Relay (1.0) Calculated Property |
| Tfus | 408.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.606 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.99; 498.24] | J/mol×K | [685.49; 900.03] | 
|
| Cp,gas | 435.99 | J/mol×K | 685.49 | Joback Calculated Property |
| Cp,gas | 448.41 | J/mol×K | 721.25 | Joback Calculated Property |
| Cp,gas | 460.02 | J/mol×K | 757.00 | Joback Calculated Property |
| Cp,gas | 470.80 | J/mol×K | 792.76 | Joback Calculated Property |
| Cp,gas | 480.77 | J/mol×K | 828.52 | Joback Calculated Property |
| Cp,gas | 489.91 | J/mol×K | 864.28 | Joback Calculated Property |
| Cp,gas | 498.24 | J/mol×K | 900.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(4-methoxyphenyl)-2-acetoxy-.
Sources
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