- InChI
- InChI=1S/C6H11NO4/c1-3-10-5(8)7-6(9)11-4-2/h3-4H2,1-2H3,(H,7,8,9)
- InChI Key
- PQVSTLUFSYVLTO-UHFFFAOYSA-N
- Formula
- C6H11NO4
- SMILES
- CCOC(=O)N=C(O)OCC
- Molecular Weight1
- 161.16
- CAS
- 19617-44-8
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.7675 | Relay (1.0) Calculated Property | |
| ΔfG° | -359.15 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -809.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.093 | Crippen Calculated Property | |
| McVol | 120.260 | ml/mol | McGowan Calculated Property |
| Pc | 3181.14 | kPa | Joback Calculated Property |
| Tboil | 499.20 | K | NIST |
| Tc | 672.75 | K | Relay (1.0) Calculated Property |
| Tfus | 282.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.476 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 406.00 ± 1.00 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Imidodicarbonic acid, diethyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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