- InChI
- InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)
- InChI Key
- SOWBFZRMHSNYGE-UHFFFAOYSA-N
- Formula
- C2H3NO3
- SMILES
- NC(=O)C(=O)O
- Molecular Weight1
- 89.05
- CAS
- 471-47-6
- ω : Acentric Factor.
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- 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 | 0.7211 | Relay (... Calculated Property | |
| ΔcH°solid | -554.60 ± 0.70 | kJ/mol | NIST |
| ΔfG° | -362.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -552.30 ± 2.20 | kJ/mol | NIST |
| ΔfH°solid | -661.20 ± 0.80 | kJ/mol | NIST |
| ΔfusH° | 13.42 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [107.95; 108.90] | kJ/mol |
|
| ΔsubH° | 108.90 ± 2.10 | kJ/mol | NIST |
| ΔsubH° | 107.95 | kJ/mol | NIST |
| ΔvapH° | 62.75 | kJ/mol | Relay (... Calculated Property |
| IE | 10.51 | eV | NIST |
| log10WS | 0.27 | Relay (... Calculated Property | |
| logPoct/wat | -1.444 | Crippen Calculated Property | |
| McVol | 58.030 | ml/mol | McGowan Calculated Property |
| Pc | 7762.62 | kPa | Joback Calculated Property |
| Tboil | 476.05 | K | Relay (... Calculated Property |
| Tc | 733.94 | K | Relay (... Calculated Property |
| Tfus | 482.00 ± 6.00 | K | NIST |
| Vc | 0.217 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.13; 138.37] | J/mol×K | [517.61; 717.03] |
|
| Cp,gas | 118.13 | J/mol×K | 517.61 | Joback Calculated Property |
| Cp,gas | 122.03 | J/mol×K | 550.85 | Joback Calculated Property |
| Cp,gas | 125.71 | J/mol×K | 584.08 | Joback Calculated Property |
| Cp,gas | 129.18 | J/mol×K | 617.32 | Joback Calculated Property |
| Cp,gas | 132.44 | J/mol×K | 650.56 | Joback Calculated Property |
| Cp,gas | 135.51 | J/mol×K | 683.79 | Joback Calculated Property |
| Cp,gas | 138.37 | J/mol×K | 717.03 | Joback Calculated Property |
| ΔsubH | 107.90 | kJ/mol | 359.00 | NIST |
Similar Compounds
Find more compounds similar to oxamic acid.
Sources
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