- InChI
- InChI=1S/C11H15NO2/c1-14-11(13)7-8-12-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
- InChI Key
- MVZIUHUSHIYYGP-UHFFFAOYSA-N
- Formula
- C11H15NO2
- SMILES
- COC(=O)CCNCc1ccccc1
- Molecular Weight1
- 193.24
- CAS
- 23574-01-8
- 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).
- 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 | 0.5606 | Relay (1.0) Calculated Property | |
| ΔfG° | 9.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -283.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.339 | Crippen Calculated Property | |
| McVol | 159.510 | ml/mol | McGowan Calculated Property |
| Pc | 2817.33 | kPa | Joback Calculated Property |
| Tboil | 550.41 | K | Relay (1.0) Calculated Property |
| Tc | 746.70 | K | Relay (1.0) Calculated Property |
| Tfus | 274.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.569 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.32; 469.67] | J/mol×K | [604.22; 813.47] | 
|
| Cp,gas | 396.32 | J/mol×K | 604.22 | Joback Calculated Property |
| Cp,gas | 410.59 | J/mol×K | 639.10 | Joback Calculated Property |
| Cp,gas | 424.01 | J/mol×K | 673.97 | Joback Calculated Property |
| Cp,gas | 436.60 | J/mol×K | 708.85 | Joback Calculated Property |
| Cp,gas | 448.39 | J/mol×K | 743.72 | Joback Calculated Property |
| Cp,gas | 459.41 | J/mol×K | 778.60 | Joback Calculated Property |
| Cp,gas | 469.67 | J/mol×K | 813.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl-beta-benzylamino propionate.
Sources
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