- 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
- Other Names
-
- Allophanic acid ethyl ester
- Carbamic acid, (aminocarbonyl)-, ethyl ester
- ethyl (aminocarbonyl)carbamate
- 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).
- 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 | 0.6713 | Relay (1.0) Calculated Property | |
| ΔfG° | -300.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -668.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.189 | Crippen Calculated Property | |
| McVol | 96.190 | ml/mol | McGowan Calculated Property |
| Pc | 4665.71 | kPa | Joback Calculated Property |
| Tboil | 494.35 | K | Relay (1.0) Calculated Property |
| Tc | 702.05 | K | Relay (1.0) Calculated Property |
| Tfus | 469.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.363 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.16; 295.68] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.73010e+01 | |||
| Coefficient B | 4.39120e-01 | |||
| Coefficient C | -1.72500e-04 | |||
| Coefficient D | -8.24000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 144.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 170.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 194.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 216.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 236.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 252.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 267.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 279.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 288.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 295.68 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to ETHYL ALLOPHANATE.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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