Chemical Properties of Urea, N,N-dimethyl- (CAS 598-94-7)

InChI

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

InChI Key

YBBLOADPFWKNGS-UHFFFAOYSA-N

Formula

C3H8N2O

SMILES

CN(C)C(N)=O

Molecular Weight¹

88.11

CAS

598-94-7

Other Names

• (CH3)2NCONH2
• 1,1-dimethylurea
• Asym-Dimethylurea
• N,N-dimethylcarbamide
• N,N-dimethylurea
• Urea, 1,1-dimethyl-

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5137		Relay (1.0) Calculated Property
ΔcH°solid	-2004.80 ± 0.53	kJ/mol	NIST
ΔfG°	22.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-220.00 ± 1.10	kJ/mol	NIST
ΔfH°solid	-319.06 ± 0.68	kJ/mol	NIST
ΔfusH°	13.34	kJ/mol	Joback Calculated Property
ΔsubH°	93.50 ± 0.30	kJ/mol	NIST
ΔvapH°	53.83	kJ/mol	Relay (1.0) Calculated Property
IE	[8.96; 9.10]	eV
IE	9.10 ± 0.05	eV	NIST
IE	8.96	eV	NIST
log10WS	0.72		Relay (1.0) Calculated Property
logPoct/wat	-0.373		Crippen Calculated Property
McVol	74.660	ml/mol	McGowan Calculated Property
Pc	5190.64	kPa	Joback Calculated Property
Tboil	465.84	K	Relay (1.0) Calculated Property
Tc	634.48	K	Relay (1.0) Calculated Property
Tfus	[454.00; 455.20]	K
Tfus	454.00 ± 0.50	K	NIST
Tfus	455.20 ± 0.10	K	NIST
Vc	0.291	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[143.54; 185.82]	J/mol×K	[406.88; 601.80]
Cp,gas	143.54	J/mol×K	406.88	Joback Calculated Property
Cp,gas	151.56	J/mol×K	439.37	Joback Calculated Property
Cp,gas	159.17	J/mol×K	471.85	Joback Calculated Property
Cp,gas	166.39	J/mol×K	504.34	Joback Calculated Property
Cp,gas	173.23	J/mol×K	536.83	Joback Calculated Property
Cp,gas	179.70	J/mol×K	569.31	Joback Calculated Property
Cp,gas	185.82	J/mol×K	601.80	Joback Calculated Property
ΔfusH	[29.11; 29.61]	kJ/mol	[454.00; 454.00]
ΔfusH	29.61	kJ/mol	454.00	NIST
ΔfusH	29.11	kJ/mol	454.00	NIST
ΔsubH	[92.50; 99.10]	kJ/mol	[347.50; 353.00]
ΔsubH	94.70 ± 1.40	kJ/mol	347.50	NIST
ΔsubH	94.70 ± 1.40	kJ/mol	347.50	NIST
ΔsubH	92.50 ± 1.30	kJ/mol	347.50	NIST
ΔsubH	93.30 ± 0.50	kJ/mol	350.00	NIST
ΔsubH	99.10 ± 0.90	kJ/mol	353.00	NIST
Psub	[3.14e-03; 0.20]	kPa	[346.30; 398.30]
Psub	3.14e-03	kPa	346.30	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	7.53e-03	kPa	356.10	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	0.01	kPa	362.20	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	0.02	kPa	365.20	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	0.02	kPa	368.10	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	0.03	kPa	371.20	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	0.03	kPa	374.20	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	0.04	kPa	377.20	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	0.05	kPa	380.20	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	0.07	kPa	383.30	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	0.09	kPa	386.30	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	0.11	kPa	389.30	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	0.13	kPa	392.20	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	0.16	kPa	395.20	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	0.20	kPa	398.30	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
ΔfusS	65.20	J/mol×K	454.00	NIST

Similar Compounds

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

Mixtures

• Urea, N,N-dimethyl- + Water

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
• Hydration of urea and its derivatives - Volumetric and compressibility studies
• 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
• McGowan Method
• NIST Webbook

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