- InChI
- InChI=1S/C12H15NO5/c1-16-9-5-4-8(6-10(9)17-2)12(15)13-7-11(14)18-3/h4-6H,7H2,1-3H3,(H,13,15)
- InChI Key
- FJKYJWSUSRUZHG-UHFFFAOYSA-N
- Formula
- C12H15NO5
- SMILES
- COC(=O)CNC(=O)c1ccc(OC)c(OC)c1
- Molecular Weight1
- 253.25
- Other Names
-
- Glycin, N-(3,4-dimethoxybenzoyl), methyl 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).
- 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 | 0.7783 | Relay (1.0) Calculated Property | |
| ΔfG° | -340.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -732.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.607 | Crippen Calculated Property | |
| McVol | 186.910 | ml/mol | McGowan Calculated Property |
| Pc | 2548.19 | kPa | Joback Calculated Property |
| Inp | [2121.00; 2121.00] |
|
|
| Inp | 2121.00 | NIST | |
| Inp | 2121.00 | NIST | |
| Inp | 2121.00 | NIST | |
| Tboil | 608.90 | K | Relay (1.0) Calculated Property |
| Tc | 835.78 | K | Relay (1.0) Calculated Property |
| Tfus | 386.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.684 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [511.68; 573.73] | J/mol×K | [735.77; 946.16] |
|
| Cp,gas | 511.68 | J/mol×K | 735.77 | Joback Calculated Property |
| Cp,gas | 524.25 | J/mol×K | 770.83 | Joback Calculated Property |
| Cp,gas | 535.96 | J/mol×K | 805.90 | Joback Calculated Property |
| Cp,gas | 546.77 | J/mol×K | 840.96 | Joback Calculated Property |
| Cp,gas | 556.69 | J/mol×K | 876.03 | Joback Calculated Property |
| Cp,gas | 565.68 | J/mol×K | 911.09 | Joback Calculated Property |
| Cp,gas | 573.73 | J/mol×K | 946.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3,4-Dimethoxy-benzoylamino)-acetic acid methyl ester.
Sources
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