- InChI
- InChI=1S/C13H17NO4/c1-4-18-12(15)9-14(2)13(16)10-5-7-11(17-3)8-6-10/h5-8H,4,9H2,1-3H3
- InChI Key
- DLKATLBNWIRJCY-UHFFFAOYSA-N
- Formula
- C13H17NO4
- SMILES
- CCOC(=O)CN(C)C(=O)c1ccc(OC)cc1
- Molecular Weight1
- 251.28
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -195.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -508.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.83 | kJ/mol | Joback Calculated Property |
| log10WS | -1.85 | Crippen Calculated Property | |
| logPoct/wat | 1.330 | Crippen Calculated Property | |
| McVol | 195.130 | ml/mol | McGowan Calculated Property |
| Pc | 2356.49 | kPa | Joback Calculated Property |
| Inp | [2072.00; 2072.00] |
|
|
| Inp | 2072.00 | NIST | |
| Inp | 2072.00 | NIST | |
| Tboil | 693.52 | K | Joback Calculated Property |
| Tc | 899.75 | K | Joback Calculated Property |
| Tfus | 452.00 | K | Joback Calculated Property |
| Vc | 0.722 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [526.21; 597.81] | J/mol×K | [693.52; 899.75] |
|
| Cp,gas | 526.21 | J/mol×K | 693.52 | Joback Calculated Property |
| Cp,gas | 540.37 | J/mol×K | 727.89 | Joback Calculated Property |
| Cp,gas | 553.61 | J/mol×K | 762.26 | Joback Calculated Property |
| Cp,gas | 565.97 | J/mol×K | 796.63 | Joback Calculated Property |
| Cp,gas | 577.44 | J/mol×K | 831.00 | Joback Calculated Property |
| Cp,gas | 588.05 | J/mol×K | 865.37 | Joback Calculated Property |
| Cp,gas | 597.81 | J/mol×K | 899.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(4-methoxybenzoyl)-, ethyl ester.
Sources
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