Chemical Properties of Isoproturon (CAS 34123-59-6)

InChI

InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)

InChI Key

PUIYMUZLKQOUOZ-UHFFFAOYSA-N

Formula

C12H18N2O

SMILES

CC(C)c1ccc(NC(=O)N(C)C)cc1

Molecular Weight¹

206.28

CAS

34123-59-6

Other Names

• 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea
• 3-(4-Isopropylphenyl)-1,1-dimethylurea
• Alon
• Arelon
• Arelon R
• Belgran
• CGA-18731
• CL 12150
• DPX 6774
• Graminon
• HOE 16410
• Hytane 500L
• IP 50
• IP-Flo
• IPU Stefes
• N'-(4-Isopropylphenyl)-N,N-dimethylurea
• N,N-dimethyl-N'-[4-(1-methylethyl)phenyl]urea
• N-(4-Isopropylphenyl)-N',N'-dimethylharnstoff
• N-(4-Isopropylphenyl)-N',N'-dimethylurea
• N-4-Isopropylphenyl-N,N-dimethylurea
• Nocilon
• Protugan
• Tolkan
• Tolken
• Urea, 1,1-dimethyl-3-(p-isopropylphenyl)-
• Urea, 3-p-cumenyl-1,1-dimethyl-
• Urea, N,N-dimethyl-N'-[4-(1-methylethyl)phenyl]-

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• 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
ΔfG°	221.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-62.81	kJ/mol	Joback Calculated Property
ΔfusH°	26.68	kJ/mol	Joback Calculated Property
ΔvapH°	60.08	kJ/mol	Joback Calculated Property
log10WS	[-3.54; -3.52]
log10WS	-3.52		Aq. Sol...
log10WS	-3.54		Estimat...
logPoct/wat	2.904		Crippen Calculated Property
McVol	177.710	ml/mol	McGowan Calculated Property
Pc	2571.50	kPa	Joback Calculated Property
Tboil	621.66	K	Joback Calculated Property
Tc	832.03	K	Joback Calculated Property
Tfus	430.81 ± 0.20	K	NIST
Vc	0.652	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[457.31; 537.59]	J/mol×K	[621.66; 832.03]
Cp,gas	457.31	J/mol×K	621.66	Joback Calculated Property
Cp,gas	473.02	J/mol×K	656.72	Joback Calculated Property
Cp,gas	487.74	J/mol×K	691.78	Joback Calculated Property
Cp,gas	501.51	J/mol×K	726.84	Joback Calculated Property
Cp,gas	514.38	J/mol×K	761.90	Joback Calculated Property
Cp,gas	526.39	J/mol×K	796.97	Joback Calculated Property
Cp,gas	537.59	J/mol×K	832.03	Joback Calculated Property
ΔfusH	[21.33; 33.87]	kJ/mol	[427.40; 430.40]
ΔfusH	21.33	kJ/mol	427.40	NIST
ΔfusH	33.87	kJ/mol	430.40	NIST

Similar Compounds

Find more compounds similar to Isoproturon.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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