- InChI
- InChI=1S/C6H11N3O3/c10-3-4(5(11)12)9-6-7-1-2-8-6/h4,10H,1-3H2,(H,11,12)(H2,7,8,9)
- InChI Key
- PVKQQMOUDJKVSX-UHFFFAOYSA-N
- Formula
- C6H11N3O3
- SMILES
- O=C(O)C(CO)NC1=NCCN1
- Molecular Weight1
- 173.17
- CAS
- 133318-36-2
- 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 | 0.8376 | Relay (1.0) Calculated Property | |
| ΔfG° | -46.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -435.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | -2.019 | Crippen Calculated Property | |
| McVol | 123.490 | ml/mol | McGowan Calculated Property |
| Pc | 6239.25 | kPa | Joback Calculated Property |
| Tboil | 578.49 | K | Relay (1.0) Calculated Property |
| Tc | 909.38 | K | Relay (1.0) Calculated Property |
| Tfus | 458.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.416 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.96; 414.39] | J/mol×K | [750.98; 955.52] | 
|
| Cp,gas | 370.96 | J/mol×K | 750.98 | Joback Calculated Property |
| Cp,gas | 379.82 | J/mol×K | 785.07 | Joback Calculated Property |
| Cp,gas | 388.02 | J/mol×K | 819.16 | Joback Calculated Property |
| Cp,gas | 395.57 | J/mol×K | 853.25 | Joback Calculated Property |
| Cp,gas | 402.48 | J/mol×K | 887.34 | Joback Calculated Property |
| Cp,gas | 408.75 | J/mol×K | 921.43 | Joback Calculated Property |
| Cp,gas | 414.39 | J/mol×K | 955.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Serine, n-(2-imidazolin-2-yl)-.
Sources
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