- InChI
- InChI=1S/C5H10N2O4/c1-10-4(8)6-3-7-5(9)11-2/h3H2,1-2H3,(H,6,8)(H,7,9)
- InChI Key
- UPFCNJPMABXKFP-UHFFFAOYSA-N
- Formula
- C5H10N2O4
- SMILES
- COC(=O)NCNC(=O)OC
- Molecular Weight1
- 162.14
- CAS
- 5937-53-1
- 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 | 0.6442 | Relay (1.0) Calculated Property | |
| ΔfG° | -297.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -741.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.344 | Crippen Calculated Property | |
| McVol | 116.150 | ml/mol | McGowan Calculated Property |
| Pc | 4005.77 | kPa | Joback Calculated Property |
| Tboil | 512.22 | K | Relay (1.0) Calculated Property |
| Tc | 699.98 | K | Relay (1.0) Calculated Property |
| Tfus | 377.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.434 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.76; 327.47] | J/mol×K | [566.72; 760.06] | 
|
| Cp,gas | 277.76 | J/mol×K | 566.72 | Joback Calculated Property |
| Cp,gas | 287.08 | J/mol×K | 598.94 | Joback Calculated Property |
| Cp,gas | 296.00 | J/mol×K | 631.17 | Joback Calculated Property |
| Cp,gas | 304.51 | J/mol×K | 663.39 | Joback Calculated Property |
| Cp,gas | 312.60 | J/mol×K | 695.61 | Joback Calculated Property |
| Cp,gas | 320.26 | J/mol×K | 727.84 | Joback Calculated Property |
| Cp,gas | 327.47 | J/mol×K | 760.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methylenedicarbamic acid, dimethyl ester.
Sources
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