- InChI
- InChI=1S/C6H11NO4/c8-5(9)1-3-7-4-2-6(10)11/h7H,1-4H2,(H,8,9)(H,10,11)
- InChI Key
- TXPKUUXHNFRBPS-UHFFFAOYSA-N
- Formula
- C6H11NO4
- SMILES
- O=C(O)CCNCCC(=O)O
- Molecular Weight1
- 161.16
- CAS
- 505-47-5
- Other Names
-
- N-(2-carboxyethyl)-«beta»-alanine
- 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° | -442.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -643.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.24 | kJ/mol | Joback Calculated Property |
| log10WS | 0.28 | Crippen Calculated Property | |
| logPoct/wat | -0.475 | Crippen Calculated Property | |
| McVol | 120.260 | ml/mol | McGowan Calculated Property |
| Pc | 4621.41 | kPa | Joback Calculated Property |
| Tboil | 678.95 | K | Joback Calculated Property |
| Tc | 855.82 | K | Joback Calculated Property |
| Tfus | 431.54 | K | Joback Calculated Property |
| Vc | 0.457 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.91; 358.98] | J/mol×K | [678.95; 855.82] | 
|
| Cp,gas | 320.91 | J/mol×K | 678.95 | Joback Calculated Property |
| Cp,gas | 328.18 | J/mol×K | 708.43 | Joback Calculated Property |
| Cp,gas | 335.06 | J/mol×K | 737.91 | Joback Calculated Property |
| Cp,gas | 341.57 | J/mol×K | 767.38 | Joback Calculated Property |
| Cp,gas | 347.72 | J/mol×K | 796.86 | Joback Calculated Property |
| Cp,gas | 353.52 | J/mol×K | 826.34 | Joback Calculated Property |
| Cp,gas | 358.98 | J/mol×K | 855.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3'-Iminodipropionic acid.
Sources
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