- InChI
- InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)
- InChI Key
- XGEGHDBEHXKFPX-UHFFFAOYSA-N
- Formula
- C2H6N2O
- SMILES
- CNC(N)=O
- Molecular Weight1
- 74.08
- CAS
- 598-50-5
- Other Names
-
- 1-Methylurea
- CH3NHCONH2
- Methylmocovina
- Methylurea
- Monomethylurea
- N-Methylurea
- methyl carbamide
- urea, monomethyl-
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Psub : Sublimation pressure (kPa).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| ΔcH°solid | [-1316.80; -1311.74] | kJ/mol |
|
| ΔcH°solid | -1311.74 ± 0.69 | kJ/mol | NIST |
| ΔcH°solid | -1316.80 ± 1.40 | kJ/mol | NIST |
| ΔfG° | -7.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-235.68; -233.50] | kJ/mol |
|
| ΔfH°gas | -235.68 ± 0.85 | kJ/mol | NIST |
| ΔfH°gas | -233.50 ± 1.00 | kJ/mol | NIST |
| ΔfH°solid | [-332.78; -327.80] | kJ/mol |
|
| ΔfH°solid | -332.78 ± 0.75 | kJ/mol | NIST |
| ΔfH°solid | -327.80 ± 1.40 | kJ/mol | NIST |
| ΔfusH° | 12.74 | kJ/mol | Measure... |
| ΔsubH° | [95.50; 97.10] | kJ/mol |
|
| ΔsubH° | 95.50 ± 0.50 | kJ/mol | NIST |
| ΔsubH° | 97.10 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 97.10 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 43.87 | kJ/mol | Joback Calculated Property |
| IE | [9.66; 9.73] | eV |
|
| IE | 9.73 ± 0.05 | eV | NIST |
| IE | 9.66 | eV | NIST |
| log10WS | 1.13 | Aq. Sol... | |
| logPoct/wat | -0.715 | Crippen Calculated Property | |
| McVol | 60.570 | ml/mol | McGowan Calculated Property |
| Pc | 6132.23 | kPa | Joback Calculated Property |
| S°solid,1 bar | 138.02 | J/mol×K | NIST |
| Tboil | 421.73 | K | Joback Calculated Property |
| Tc | 624.80 | K | Joback Calculated Property |
| Tfus | [373.80; 375.30] | K |
|
| Tfus | 373.80 ± 0.50 | K | NIST |
| Tfus | 375.30 ± 0.10 | K | NIST |
| Ttriple | [375.00; 378.00] | K |
|
| Ttriple | 375.00 ± 0.20 | K | NIST |
| Ttriple | 378.00 ± 0.00 | K | NIST |
| Vc | 0.217 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [115.61; 147.92] | J/mol×K | [421.73; 624.80] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 115 120 125 130 135 140 145 150 450 500 550 600 | ||||
| Cp,gas | 115.61 | J/mol×K | 421.73 | Joback Calculated Property |
| Cp,gas | 121.68 | J/mol×K | 455.58 | Joback Calculated Property |
| Cp,gas | 127.47 | J/mol×K | 489.42 | Joback Calculated Property |
| Cp,gas | 132.99 | J/mol×K | 523.27 | Joback Calculated Property |
| Cp,gas | 138.23 | J/mol×K | 557.11 | Joback Calculated Property |
| Cp,gas | 143.20 | J/mol×K | 590.96 | Joback Calculated Property |
| Cp,gas | 147.92 | J/mol×K | 624.80 | Joback Calculated Property |
| Cp,solid | 114.74 | J/mol×K | 298.15 | NIST |
| ΔfusH | [12.50; 16.60] | kJ/mol | [372.00; 378.10] |
|
| ΔfusH | 12.50 | kJ/mol | 372.00 | NIST |
| ΔfusH | 15.75 | kJ/mol | 373.80 | NIST |
| ΔfusH | 16.60 | kJ/mol | 375.00 | NIST |
| ΔfusH | 14.06 | kJ/mol | 378.10 | NIST |
| ΔsubH | [87.30; 99.30] | kJ/mol | [337.00; 355.00] |
|
|
T(K) Enthalpy of sublimation at a given temperature (kJ/mol) 88 90 92 94 96 98 100 340 345 350 355 | ||||
| ΔsubH | 99.30 ± 0.70 | kJ/mol | 337.00 | NIST |
| ΔsubH | 94.90 ± 0.60 | kJ/mol | 337.00 | NIST |
| ΔsubH | 94.38 ± 0.85 | kJ/mol | 343.00 | NIST |
| ΔsubH | 94.40 ± 0.84 | kJ/mol | 343.00 | NIST |
| ΔsubH | 95.73 | kJ/mol | 343.00 | NIST |
| ΔsubH | 96.80 ± 1.20 | kJ/mol | 346.50 | NIST |
| ΔsubH | 96.90 ± 1.20 | kJ/mol | 346.50 | NIST |
| ΔsubH | 87.30 | kJ/mol | 348.00 | NIST |
| ΔsubH | 94.40 ± 0.80 | kJ/mol | 350.00 | NIST |
| ΔsubH | 93.30 ± 1.20 | kJ/mol | 355.00 | NIST |
| Psub | [4.00e-04; 8.15e-03] | kPa | [333.10; 365.70] |
|
|
T(K) Sublimation pressure (kPa) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 5.00e-3 6.00e-3 7.00e-3 8.00e-3 340 350 360 | ||||
| Psub | 4.00e-04 | kPa | 333.10 | Measure... |
| Psub | 6.40e-04 | kPa | 338.10 | Measure... |
| Psub | 1.00e-03 | kPa | 342.70 | Measure... |
| Psub | 1.40e-03 | kPa | 346.10 | Measure... |
| Psub | 1.92e-03 | kPa | 349.20 | Measure... |
| Psub | 2.52e-03 | kPa | 352.20 | Measure... |
| Psub | 3.56e-03 | kPa | 356.20 | Measure... |
| Psub | 4.74e-03 | kPa | 359.60 | Measure... |
| Psub | 6.12e-03 | kPa | 362.70 | Measure... |
| Psub | 8.03e-03 | kPa | 365.70 | Measure... |
| Psub | 8.15e-03 | kPa | 365.70 | Measure... |
| ΔfusS | 42.10 | J/mol×K | 373.80 | NIST |
Similar Compounds
Find more compounds similar to Urea, methyl-.
Mixtures
Sources
- Crippen Method
- Densimetric and ultrasonic characterization of urea and its derivatives in water
- Solubility and thermodynamic properties of NH3 in choline chloride-based deep eutectic solvents
- Measurement of enthalpy curves of phase change materials via DSC and T-History: When are both methods needed to estimate the behaviour of the bulk material in applications?
- Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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