- InChI
- InChI=1S/C8H16N2O4/c1-4(2)6(9)7(12)10-5(3-11)8(13)14/h4-6,11H,3,9H2,1-2H3,(H,10,12)(H,13,14)
- InChI Key
- STTYIMSDIYISRG-UHFFFAOYSA-N
- Formula
- C8H16N2O4
- SMILES
- CC(C)C(N)C(=O)NC(CO)C(=O)O
- Molecular Weight1
- 204.22
- CAS
- 13588-94-8
- BasG : Gas basicity (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).
- 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 |
|---|---|---|---|
| BasG | 874.10 | kJ/mol | NIST |
| ΔfG° | -366.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -666.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.17 | kJ/mol | Joback Calculated Property |
| log10WS | 0.09 | Crippen Calculated Property | |
| logPoct/wat | -1.469 | Crippen Calculated Property | |
| McVol | 158.420 | ml/mol | McGowan Calculated Property |
| Pc | 3995.65 | kPa | Joback Calculated Property |
| Tboil | 795.92 | K | Joback Calculated Property |
| Tc | 988.60 | K | Joback Calculated Property |
| Tfus | 492.34 | K | Joback Calculated Property |
| Vc | 0.580 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [476.06; 519.88] | J/mol×K | [795.92; 988.60] | 
|
| Cp,gas | 476.06 | J/mol×K | 795.92 | Joback Calculated Property |
| Cp,gas | 484.71 | J/mol×K | 828.03 | Joback Calculated Property |
| Cp,gas | 492.79 | J/mol×K | 860.15 | Joback Calculated Property |
| Cp,gas | 500.33 | J/mol×K | 892.26 | Joback Calculated Property |
| Cp,gas | 507.34 | J/mol×K | 924.37 | Joback Calculated Property |
| Cp,gas | 513.85 | J/mol×K | 956.49 | Joback Calculated Property |
| Cp,gas | 519.88 | J/mol×K | 988.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to val-ser.
Sources
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