Chemical Properties of Urea, phenyl- (CAS 64-10-8)

InChI

InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)

InChI Key

LUBJCRLGQSPQNN-UHFFFAOYSA-N

Formula

C7H8N2O

SMILES

NC(=O)Nc1ccccc1

Molecular Weight¹

136.15

CAS

64-10-8

Other Names

• 1-Phenylurea
• Monophenylurea
• N-phenylurea
• NSC 2781
• PC
• Phenylcarbamide
• Stabilisator VH
• Stabilizer VH
• Urea, N-phenyl
• VH
• phenylurea

• 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 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	0.6259		Relay (1.0) Calculated Property
ΔcH°solid	[-3684.00; -3666.40]	kJ/mol
ΔcH°solid	-3666.40 ± 2.20	kJ/mol	NIST
ΔcH°solid	-3684.00	kJ/mol	NIST
ΔfG°	147.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-148.76	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[-231.50; -215.00]	kJ/mol
ΔfH°solid	-231.50 ± 2.20	kJ/mol	NIST
ΔfH°solid	-218.60 ± 2.40	kJ/mol	NIST
ΔfH°solid	-215.00	kJ/mol	NIST
ΔfusH°	19.82	kJ/mol	Joback Calculated Property
ΔvapH°	70.18	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	NIST
log10WS	-1.93		Relay (1.0) Calculated Property
logPoct/wat	1.177		Crippen Calculated Property
McVol	107.260	ml/mol	McGowan Calculated Property
Pc	4917.69	kPa	Joback Calculated Property
Tboil	511.20	K	NIST
Tc	820.68	K	Relay (1.0) Calculated Property
Tfus	420.60 ± 0.30	K	NIST
Vc	0.379	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.67; 296.09]	J/mol×K	[562.81; 799.09]
Cp,gas	242.67	J/mol×K	562.81	Joback Calculated Property
Cp,gas	253.47	J/mol×K	602.19	Joback Calculated Property
Cp,gas	263.46	J/mol×K	641.57	Joback Calculated Property
Cp,gas	272.68	J/mol×K	680.95	Joback Calculated Property
Cp,gas	281.17	J/mol×K	720.33	Joback Calculated Property
Cp,gas	288.96	J/mol×K	759.71	Joback Calculated Property
Cp,gas	296.09	J/mol×K	799.09	Joback Calculated Property
ΔfusH	[23.68; 23.68]	kJ/mol	[420.60; 420.60]
ΔfusH	23.68	kJ/mol	420.60	NIST
ΔfusH	23.68	kJ/mol	420.60	NIST
ΔfusH	23.68	kJ/mol	420.60	NIST
ΔsubH	136.00 ± 6.00	kJ/mol	402.00	NIST
Psub	[6.10e-04; 7.14e-03]	kPa	[386.00; 413.60]
Psub	6.10e-04	kPa	386.00	Phenyl substituted ureas: Evaluation of thermochemical data with complementary experimental and computational methods
Psub	1.03e-03	kPa	391.70	Phenyl substituted ureas: Evaluation of thermochemical data with complementary experimental and computational methods
Psub	1.54e-03	kPa	396.20	Phenyl substituted ureas: Evaluation of thermochemical data with complementary experimental and computational methods
Psub	2.09e-03	kPa	399.50	Phenyl substituted ureas: Evaluation of thermochemical data with complementary experimental and computational methods
Psub	2.75e-03	kPa	402.40	Phenyl substituted ureas: Evaluation of thermochemical data with complementary experimental and computational methods
Psub	3.94e-03	kPa	406.20	Phenyl substituted ureas: Evaluation of thermochemical data with complementary experimental and computational methods
Psub	4.70e-03	kPa	408.30	Phenyl substituted ureas: Evaluation of thermochemical data with complementary experimental and computational methods
Psub	6.07e-03	kPa	411.50	Phenyl substituted ureas: Evaluation of thermochemical data with complementary experimental and computational methods
Psub	7.14e-03	kPa	413.60	Phenyl substituted ureas: Evaluation of thermochemical data with complementary experimental and computational methods
ΔfusS	56.30	J/mol×K	420.60	NIST

Similar Compounds

Find more compounds similar to Urea, phenyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Phenyl substituted ureas: Evaluation of thermochemical data with complementary experimental and computational methods
• Joback Method
• McGowan Method
• NIST Webbook

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