Chemical Properties of Urea, N,N'-dimethyl- (CAS 96-31-1)

InChI

InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)

InChI Key

MGJKQDOBUOMPEZ-UHFFFAOYSA-N

Formula

C3H8N2O

SMILES

CNC(=O)NC

Molecular Weight¹

88.11

CAS

96-31-1

Other Names

• (CH3NH)2CO
• 1,1'-Dimethylurea
• 1,3-dimethylurea
• DMU
• N,N'-Dimethylharnstoff
• N,N'-dimethylurea
• NSC 14910
• Symmetric dimethylurea
• sym-Dimethylurea
• urea, 1,3-dimethyl-

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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_c : Critical Pressure (kPa).
• P_sub : Sublimation pressure (kPa).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5107		Relay (1.0) Calculated Property
PAff	903.30	kJ/mol	NIST
BasG	873.50	kJ/mol	NIST
ΔcH°solid	[-2011.70; -2010.20]	kJ/mol
ΔcH°solid	-2011.70 ± 2.80	kJ/mol	NIST
ΔcH°solid	-2010.20 ± 1.10	kJ/mol	NIST
ΔfG°	24.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-221.60 ± 1.60	kJ/mol	NIST
ΔfH°solid	[-313.70; -312.10]	kJ/mol
ΔfH°solid	-312.10 ± 2.80	kJ/mol	NIST
ΔfH°solid	-313.70 ± 1.20	kJ/mol	NIST
ΔfusH°	15.32	kJ/mol	Joback Calculated Property
ΔsubH°	89.30 ± 0.40	kJ/mol	NIST
ΔvapH°	63.19	kJ/mol	Relay (1.0) Calculated Property
IE	[9.23; 9.42]	eV
IE	9.42 ± 0.05	eV	NIST
IE	9.23	eV	NIST
log10WS	0.51		Relay (1.0) Calculated Property
logPoct/wat	-0.455		Crippen Calculated Property
McVol	74.660	ml/mol	McGowan Calculated Property
Pc	4980.35	kPa	Joback Calculated Property
Tboil	542.20	K	NIST
Tc	665.25	K	Relay (1.0) Calculated Property
Tfus	[376.35; 379.90]	K
Tfus	376.35	K	Measurement and correlation of solubility and solution thermodynamics of 1,3-dimethylurea in different solvents from T = (288.15 to 328.15) K
Tfus	377.50 ± 0.50	K	NIST
Tfus	379.50 ± 0.20	K	NIST
Tfus	379.90 ± 0.10	K	NIST
Ttriple	[371.00; 376.35]	K
Ttriple	376.35	K	Thermodynamics of 1,3-dimethylurea in eight alcohols
Ttriple	371.00 ± 0.00	K	NIST
Vc	0.270	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[143.48; 184.88]	J/mol×K	[422.25; 612.72]
Cp,gas	143.48	J/mol×K	422.25	Joback Calculated Property
Cp,gas	151.21	J/mol×K	453.99	Joback Calculated Property
Cp,gas	158.59	J/mol×K	485.74	Joback Calculated Property
Cp,gas	165.65	J/mol×K	517.48	Joback Calculated Property
Cp,gas	172.37	J/mol×K	549.23	Joback Calculated Property
Cp,gas	178.78	J/mol×K	580.97	Joback Calculated Property
Cp,gas	184.88	J/mol×K	612.72	Joback Calculated Property
ΔfusH	13.62	kJ/mol	379.50	NIST
ΔsubH	[86.60; 92.10]	kJ/mol	[344.50; 354.00]
ΔsubH	87.20 ± 0.60	kJ/mol	344.50	NIST
ΔsubH	87.60 ± 1.00	kJ/mol	347.00	NIST
ΔsubH	87.50 ± 1.00	kJ/mol	347.00	NIST
ΔsubH	86.60 ± 0.50	kJ/mol	350.00	NIST
ΔsubH	92.10 ± 1.00	kJ/mol	354.00	NIST
Psub	[1.90e-04; 0.01]	kPa	[313.30; 357.70]
Psub	1.90e-04	kPa	313.30	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	5.10e-04	kPa	322.90	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	7.70e-04	kPa	326.90	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	1.19e-03	kPa	330.90	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	1.75e-03	kPa	335.00	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	2.42e-03	kPa	339.00	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	3.68e-03	kPa	343.20	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	5.32e-03	kPa	347.30	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	7.38e-03	kPa	351.40	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	9.66e-03	kPa	354.60	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	0.01	kPa	357.70	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	35.90	J/mol×K	379.50	NIST

Similar Compounds

Find more compounds similar to Urea, N,N'-dimethyl-.

Mixtures

• Urea, N,N'-dimethyl- + Water
• Isopropyl Alcohol + Urea, N,N'-dimethyl-
• Acetone + Urea, N,N'-dimethyl-
• Acetonitrile + Urea, N,N'-dimethyl-
• Urea, N,N'-dimethyl- + Ethyl Acetate
• Acetic acid, butyl ester + Urea, N,N'-dimethyl-
• Urea, N,N'-dimethyl- + Methyl Alcohol
• Urea, N,N'-dimethyl- + 1-Pentanol
• Ethanol + Urea, N,N'-dimethyl-
• Urea, N,N'-dimethyl- + 1-Hexanol
• 1-Propanol + Urea, N,N'-dimethyl-
• 1-Butanol + Urea, N,N'-dimethyl-
• 1-Octanol + Urea, N,N'-dimethyl-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Apparent molar volumes and apparent molar heat capacities of aqueous urea, 1,1-dimethylurea, and N,N'-dimethylurea at temperatures from (278.15 to 348.15) K and at the pressure 0.35 MPa
• Densimetric and ultrasonic characterization of urea and its derivatives in water
• Measurement and correlation of solubility and solution thermodynamics of 1,3-dimethylurea in different solvents from T = (288.15 to 328.15) K
• Thermodynamics of 1,3-dimethylurea in eight alcohols
• 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
• Apparent Molar Volumes and Expansibilities of Thiourea, 1,3-Dimethylurea, and 1,3-Dimethylthiourea in Water at Temperatures from T = (278.15 to 318.15) K and Atmospheric Pressure
• Thermal Expansion and Structure of 1,3-Dimethylurea, Tetramethylurea, and Tetrabutylammonium Bromide Aqueous Solutions Derived from Density Measurements
• Density and Viscosity of Aqueous Solutions of 1,3-Dimethylurea from (288.15 to 333.15) K
• Joback Method
• McGowan Method
• NIST Webbook

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