Chemical Properties of Urea, methyl- (CAS 598-50-5)

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
• N-Methylurea
• methyl carbamide
• methylurea
• monomethylurea
• urea, monomethyl-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_sub : Sublimation pressure (kPa).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

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
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	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?
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°	57.56	kJ/mol	Relay (1.0) Calculated Property
IE	[9.66; 9.73]	eV
IE	9.73 ± 0.05	eV	NIST
IE	9.66	eV	NIST
log10WS	1.13		Aq. Solubility Prediction
logPoct/wat	-0.715		Crippen Calculated Property
McVol	60.570	ml/mol	McGowan Calculated Property
S°solid,1 bar	138.02	J/mol×K	NIST
Tboil	457.45	K	Relay (1.0) 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
Ttriple	378.00 ± 0.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[115.64; 147.96]	J/mol×K	[421.93; 625.10]
Cp,gas	115.64	J/mol×K	421.93	Joback Calculated Property
Cp,gas	121.72	J/mol×K	455.79	Joback Calculated Property
Cp,gas	127.51	J/mol×K	489.65	Joback Calculated Property
Cp,gas	133.03	J/mol×K	523.52	Joback Calculated Property
Cp,gas	138.27	J/mol×K	557.38	Joback Calculated Property
Cp,gas	143.24	J/mol×K	591.24	Joback Calculated Property
Cp,gas	147.96	J/mol×K	625.10	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
ΔfusH	14.06	kJ/mol	378.10	NIST
ΔsubH	[87.30; 99.30]	kJ/mol	[337.00; 355.00]
ΔsubH	99.30 ± 0.70	kJ/mol	337.00	NIST
ΔsubH	94.90 ± 0.60	kJ/mol	337.00	NIST
ΔsubH	99.30 ± 0.70	kJ/mol	337.00	NIST
ΔsubH	94.90 ± 0.60	kJ/mol	337.00	NIST
ΔsubH	95.73	kJ/mol	343.00	NIST
ΔsubH	94.38 ± 0.85	kJ/mol	343.00	NIST
ΔsubH	94.40 ± 0.84	kJ/mol	343.00	NIST
ΔsubH	96.90 ± 1.20	kJ/mol	346.50	NIST
ΔsubH	96.80 ± 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]
Psub	4.00e-04	kPa	333.10	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
Psub	6.40e-04	kPa	338.10	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
Psub	1.00e-03	kPa	342.70	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
Psub	1.40e-03	kPa	346.10	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
Psub	1.92e-03	kPa	349.20	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
Psub	2.52e-03	kPa	352.20	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
Psub	3.56e-03	kPa	356.20	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
Psub	4.74e-03	kPa	359.60	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
Psub	6.12e-03	kPa	362.70	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
Psub	8.03e-03	kPa	365.70	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
Psub	8.15e-03	kPa	365.70	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
ΔfusS	42.10	J/mol×K	373.80	NIST

Similar Compounds

Find more compounds similar to Urea, methyl-.

Mixtures

• Ammonia + Choline chloride + Urea, methyl-
• Urea, methyl- + Water

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
• Densimetric and ultrasonic characterization of urea and its derivatives in water
• Solubility and thermodynamic properties of NH3 in choline chloride-based deep eutectic solvents
• Enthalpies of transfer of urea and methyl-substituted ureas from water to methanol at 298.15K
• 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?
• Densities and Volumetric Properties of Aqueous Solutions of {Water (1) + N-Methylurea (2)} Mixtures at Temperatures of 274.15-333.15 K and at Pressures up to 100 MPa
• 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
• Thermodynamics of Solvation of Urea and Some Monosubstituted N-Alkylureas in Water at 298.15 K
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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