- InChI
- InChI=1S/C8H13NO5/c1-3-13-7(11)6(9-5-10)8(12)14-4-2/h5-6H,3-4H2,1-2H3,(H,9,10)
- InChI Key
- PFLHGSJLYNJIOF-UHFFFAOYSA-N
- Formula
- C8H13NO5
- SMILES
- CCOC(=O)C(NC=O)C(=O)OCC
- Molecular Weight1
- 203.19
- CAS
- 6326-44-9
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.6128 | Relay (1.0) Calculated Property | |
| ΔfG° | -463.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -935.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.773 | Crippen Calculated Property | |
| McVol | 150.010 | ml/mol | McGowan Calculated Property |
| Pc | 3089.85 | kPa | Joback Calculated Property |
| Tboil | 548.97 | K | Relay (1.0) Calculated Property |
| Tc | 721.52 | K | Relay (1.0) Calculated Property |
| Tfus | 325.00 ± 3.00 | K | NIST |
| Vc | 0.543 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [385.93; 442.38] | J/mol×K | [633.41; 825.79] | 
|
| Cp,gas | 385.93 | J/mol×K | 633.41 | Joback Calculated Property |
| Cp,gas | 396.74 | J/mol×K | 665.47 | Joback Calculated Property |
| Cp,gas | 407.00 | J/mol×K | 697.54 | Joback Calculated Property |
| Cp,gas | 416.70 | J/mol×K | 729.60 | Joback Calculated Property |
| Cp,gas | 425.83 | J/mol×K | 761.67 | Joback Calculated Property |
| Cp,gas | 434.40 | J/mol×K | 793.73 | Joback Calculated Property |
| Cp,gas | 442.38 | J/mol×K | 825.79 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 446.70 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to diethyl formamidomalonate.
Sources
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