- InChI
- InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
- InChI Key
- OKJIRPAQVSHGFK-UHFFFAOYSA-N
- Formula
- C4H7NO3
- SMILES
- CC(=O)NCC(=O)O
- Molecular Weight1
- 117.10
- CAS
- 543-24-8
- Other Names
-
- 2-(Acetylamino)acetic acid
- 2-Acetamidoacetic acid
- Acetylaminoacetic acid
- Acetylglycine
- Acetylglycocoll
- CH3CONHCH2COOH
- Ethanoylaminoethanoic acid
- N-acetylglycine
- NSC 7605
- acetamidoacetic acid
- aceturic acid
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -604.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.40; 9.80] | eV |
|
| IE | 9.40 | eV | NIST |
| IE | 9.80 | eV | NIST |
| log10WS | 0.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.793 | Crippen Calculated Property | |
| McVol | 86.210 | ml/mol | McGowan Calculated Property |
| Inp | 1382.20 | NIST | |
| Tboil | 506.41 | K | Relay (1.0) Calculated Property |
| Tfus | 479.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 127.00 ± 1.00 | kJ/mol | 389.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [121.07; 262.38] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.00010e+01 | |||
| Coefficient B | 4.82820e-01 | |||
| Coefficient C | -2.96300e-04 | |||
| Coefficient D | 6.58600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 121.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 146.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 169.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 189.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 206.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 221.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 234.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 245.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 254.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 262.38 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, N-acetyl-.
Mixtures
- Sucrose + Glycine, N-acetyl- + Water
- Glycine, N-acetyl- + Water
- Fructose + Glycine, N-acetyl- + Water
- Glycine, N-acetyl- + Water + Tetra-n-butylammonium iodide
- Ethanaminium, N,N,N-triethyl-, iodide + Glycine, N-acetyl- + Water
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Studies of volumetric and acoustic properties of trisodium citrate and tripotassium citrate in aqueous solutions of N-acetyl glycine at different temperatures
- Volumetric, acoustic and viscometric behaviour of dipotassium hydrogen phosphate and disodium hydrogen phosphate in aqueous solution of N-acetyl glycine at different temperatures
- Thermodynamic study of N-acetyl glycine in aqueous tetraethylammonium iodide solutions in the temperature interval (288.15 to 308.15) K: Volumetric and acoustic study
- Effect of N-acetylglycine on volumetric and acoustic behaviour of aqueous tetrabutylammonium iodide solutions at different temperatures
- Effect of N-acetylglycine on volumetric, acoustic and viscometric behaviour of aqueous amoxicillin solutions
- Volumetric and ultrasonic studies of solute-solute and solutesolvent interactions of N-acetyl glycine in aqueous sucrose solutions at different temperatures
- Study of solute-solute and solute-solvent interactions of N-acetyl glycine in aqueous D-fructose solutions at different temperatures
- Joback Method
- McGowan Method
- NIST Webbook
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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