Chemical Properties of Pencycuron (CAS 66063-05-6)

InChI

InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)

InChI Key

OGYFATSSENRIKG-UHFFFAOYSA-N

Formula

C19H21ClN2O

SMILES

O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1

Molecular Weight¹

328.84

CAS

66063-05-6

Other Names

• 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
• Bay NTN 19701
• Monceren
• N-((4-Chlorophenyl)methyl)-N-cyclopentyl-N'-phenylurea
• Trotis
• Urea, N-[(4-chlorophenyl)methyl]-N-cyclopentyl-N'-phenyl-
• [(Chlorophenyl)-methyl]-N-cyclopentyl-N'-phenylurea

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion at standard conditions (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).
• I_np : Non-polar retention indices.
• 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	0.7054		Relay (1.0) Calculated Property
ΔfG°	420.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-47.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.51	kJ/mol	Joback Calculated Property
ΔvapH°	116.91	kJ/mol	Relay (1.0) Calculated Property
IE	7.86	eV	Relay (1.0) Calculated Property
log10WS	[-5.92; -5.91]
log10WS	-5.91		Aq. Solubility Prediction
log10WS	-5.92		Estimated Solubility
logPoct/wat	5.317		Crippen Calculated Property
McVol	253.960	ml/mol	McGowan Calculated Property
Pc	2108.07	kPa	Joback Calculated Property
Inp	[1690.00; 1690.00]
Inp	1690.00		NIST
Inp	1690.00		NIST
Tboil	679.66	K	Relay (1.0) Calculated Property
Tc	1001.13	K	Relay (1.0) Calculated Property
Tfus	381.92	K	Relay (1.0) Calculated Property
Vc	0.890	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[767.17; 844.03]	J/mol×K	[861.65; 1109.11]
Cp,gas	767.17	J/mol×K	861.65	Joback Calculated Property
Cp,gas	782.97	J/mol×K	902.89	Joback Calculated Property
Cp,gas	797.39	J/mol×K	944.14	Joback Calculated Property
Cp,gas	810.57	J/mol×K	985.38	Joback Calculated Property
Cp,gas	822.64	J/mol×K	1026.62	Joback Calculated Property
Cp,gas	833.75	J/mol×K	1067.86	Joback Calculated Property
Cp,gas	844.03	J/mol×K	1109.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pencycuron.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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