- InChI
- InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)
- InChI Key
- CVSVTCORWBXHQV-UHFFFAOYSA-N
- Formula
- C4H9N3O2
- SMILES
- CN(CC(=O)O)C(=N)N
- Molecular Weight1
- 131.13
- CAS
- 57-00-1
- Other Names
-
- («alpha»-Methylguanido)acetic acid
- 6020-87-7 (hydrate)
- Creatin
- Glycine, N-(aminoiminomethyl)-N-methyl-
- Kreatin
- Krebiozon
- Methylguanidoacetic acid
- N-(Aminoiminomethyl)-N-methyl-glycine
- N-Methyl-N-guanylglycine
- N-amidinosarcasine
- N-amidinosarcosine
- N-guanyl-N-methylglycine
- NSC 8752
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation 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).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- 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 |
|---|---|---|---|
| ΔcH°solid | [-2325.50; -2323.10] | kJ/mol |
|
| ΔcH°solid | -2323.10 ± 0.84 | kJ/mol | NIST |
| ΔcH°solid | -2325.50 | kJ/mol | NIST |
| ΔfG° | 97.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -91.05 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -537.18 ± 0.88 | kJ/mol | NIST |
| ΔvapH° | 72.69 | kJ/mol | Joback Calculated Property |
| log10WS | -0.51 | Crippen Calculated Property | |
| logPoct/wat | -1.104 | Crippen Calculated Property | |
| McVol | 100.300 | ml/mol | McGowan Calculated Property |
| S°solid,1 bar | 189.50 | J/mol×K | NIST |
| Tboil | 606.28 | K | Joback Calculated Property |
| Tfus | 430.10 | K | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [50.00; 252.05] | J/mol×K | [100.12; 606.28] |
|
| Cp,gas | 50.00 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 50.00 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 50.00 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 50.00 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 50.00 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 50.00 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 252.05 | J/mol×K | 606.28 | Joback Calculated Property |
| Cp,solid | [171.10; 184.50] | J/mol×K | [296.30; 323.00] |
|
| Cp,solid | 171.10 | J/mol×K | 296.30 | NIST |
| Cp,solid | 184.50 | J/mol×K | 323.00 | NIST |
Similar Compounds
Find more compounds similar to Creatine.
Mixtures
Sources
- Crippen Method
- Crippen Method
- The organisation of water around creatine and creatinine molecules
- Joback Method
- McGowan Method
- NIST Webbook
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