- InChI
- InChI=1S/C7H13NO4/c1-7(2,3)12-6(11)8-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)
- InChI Key
- VRPJIFMKZZEXLR-UHFFFAOYSA-N
- Formula
- C7H13NO4
- SMILES
- CC(C)(C)OC(=O)NCC(=O)O
- Molecular Weight1
- 175.18
- 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).
- 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° | -399.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -652.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.90 | kJ/mol | Joback Calculated Property |
| log10WS | -0.08 | Aq. Sol... | |
| logPoct/wat | 0.596 | Crippen Calculated Property | |
| McVol | 134.350 | ml/mol | McGowan Calculated Property |
| Pc | 3642.13 | kPa | Joback Calculated Property |
| Tboil | 628.84 | K | Joback Calculated Property |
| Tc | 817.53 | K | Joback Calculated Property |
| Tfus | 361.48 | K | Aq. Sol... |
| Vc | 0.500 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.47; 401.56] | J/mol×K | [628.84; 817.53] | 
|
| Cp,gas | 351.47 | J/mol×K | 628.84 | Joback Calculated Property |
| Cp,gas | 361.14 | J/mol×K | 660.29 | Joback Calculated Property |
| Cp,gas | 370.26 | J/mol×K | 691.74 | Joback Calculated Property |
| Cp,gas | 378.84 | J/mol×K | 723.19 | Joback Calculated Property |
| Cp,gas | 386.91 | J/mol×K | 754.63 | Joback Calculated Property |
| Cp,gas | 394.48 | J/mol×K | 786.08 | Joback Calculated Property |
| Cp,gas | 401.56 | J/mol×K | 817.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to boc-glycine.
Sources
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