- InChI
- InChI=1S/C4H8N2O3/c1-2-9-4(8)6-3(5)7/h2H2,1H3,(H3,5,6,7,8)
- InChI Key
- PIHPSKJRLDSJPX-UHFFFAOYSA-N
- Formula
- C4H8N2O3
- SMILES
- CCOC(=O)NC(N)=O
- Molecular Weight1
- 132.12
- CAS
- 626-36-8
- Other Names
-
- Allophanic acid ethyl ester
- Carbamic acid, (aminocarbonyl)-, ethyl ester
- ethyl (aminocarbonyl)carbamate
- 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 |
|---|---|---|---|
| ΔfG° | -224.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.48 | kJ/mol | Joback Calculated Property |
| log10WS | -0.71 | Crippen Calculated Property | |
| logPoct/wat | -0.189 | Crippen Calculated Property | |
| McVol | 96.190 | ml/mol | McGowan Calculated Property |
| Pc | 4938.44 | kPa | Joback Calculated Property |
| Tboil | 543.78 | K | Joback Calculated Property |
| Tc | 749.98 | K | Joback Calculated Property |
| Tfus | 392.85 | K | Joback Calculated Property |
| Vc | 0.353 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.70; 263.18] | J/mol×K | [543.78; 749.98] | 
|
| Cp,gas | 220.70 | J/mol×K | 543.78 | Joback Calculated Property |
| Cp,gas | 228.76 | J/mol×K | 578.15 | Joback Calculated Property |
| Cp,gas | 236.43 | J/mol×K | 612.51 | Joback Calculated Property |
| Cp,gas | 243.71 | J/mol×K | 646.88 | Joback Calculated Property |
| Cp,gas | 250.60 | J/mol×K | 681.25 | Joback Calculated Property |
| Cp,gas | 257.09 | J/mol×K | 715.61 | Joback Calculated Property |
| Cp,gas | 263.18 | J/mol×K | 749.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl allophanate.
Sources
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