- InChI
- InChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)
- InChI Key
- XZKQVQKUZMAADP-UHFFFAOYSA-N
- Formula
- C6H12N2O5
- SMILES
- NC(CO)C(=O)NC(CO)C(=O)O
- Molecular Weight1
- 192.17
- CAS
- 6620-95-7
- Other Names
-
- Serylserine
- ω : Acentric Factor.
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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 | 0.9728 | Relay (1.0) Calculated Property | |
| BasG | 886.40 | kJ/mol | NIST |
| ΔcH°solid | -2898.30 ± 0.30 | kJ/mol | NIST |
| ΔfG° | -517.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -909.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | -3.132 | Crippen Calculated Property | |
| McVol | 136.110 | ml/mol | McGowan Calculated Property |
| Pc | 5862.92 | kPa | Joback Calculated Property |
| Tboil | 606.89 | K | Relay (1.0) Calculated Property |
| Tc | 906.44 | K | Relay (1.0) Calculated Property |
| Tfus | 475.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.461 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.68; 441.58] | J/mol×K | [842.78; 1036.34] | 
|
| Cp,gas | 410.68 | J/mol×K | 842.78 | Joback Calculated Property |
| Cp,gas | 416.88 | J/mol×K | 875.04 | Joback Calculated Property |
| Cp,gas | 422.63 | J/mol×K | 907.30 | Joback Calculated Property |
| Cp,gas | 427.96 | J/mol×K | 939.56 | Joback Calculated Property |
| Cp,gas | 432.88 | J/mol×K | 971.82 | Joback Calculated Property |
| Cp,gas | 437.41 | J/mol×K | 1004.08 | Joback Calculated Property |
| Cp,gas | 441.58 | J/mol×K | 1036.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Serylserine.
Sources
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