- InChI
- InChI=1S/C12H15NO3/c1-15-12(14)11-10(13-7-8-16-11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11+/m0/s1
- InChI Key
- NWNADPSOSMWRMD-WDEREUQCSA-N
- Formula
- C12H15NO3
- SMILES
- COC(=O)C1OCCNC1c1ccccc1
- Molecular Weight1
- 221.25
- 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° | -53.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -359.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.13 | kJ/mol | Joback Calculated Property |
| log10WS | -1.55 | Crippen Calculated Property | |
| logPoct/wat | 0.889 | Crippen Calculated Property | |
| McVol | 168.610 | ml/mol | McGowan Calculated Property |
| Pc | 3069.34 | kPa | Joback Calculated Property |
| Inp | 1711.00 | NIST | |
| Tboil | 667.31 | K | Joback Calculated Property |
| Tc | 911.54 | K | Joback Calculated Property |
| Tfus | 458.32 | K | Joback Calculated Property |
| Vc | 0.614 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [463.50; 550.17] | J/mol×K | [667.31; 911.54] | 
|
| Cp,gas | 463.50 | J/mol×K | 667.31 | Joback Calculated Property |
| Cp,gas | 481.31 | J/mol×K | 708.02 | Joback Calculated Property |
| Cp,gas | 497.75 | J/mol×K | 748.72 | Joback Calculated Property |
| Cp,gas | 512.85 | J/mol×K | 789.43 | Joback Calculated Property |
| Cp,gas | 526.60 | J/mol×K | 830.13 | Joback Calculated Property |
| Cp,gas | 539.04 | J/mol×K | 870.84 | Joback Calculated Property |
| Cp,gas | 550.17 | J/mol×K | 911.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Morpholine-2-carboxylic acid, 3-phenyl, methyl ester, trans.
Sources
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