Chemical Properties of Cycluron (CAS 2163-69-1)

InChI

InChI=1S/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)

InChI Key

DQZCVNGCTZLGAQ-UHFFFAOYSA-N

Formula

C11H22N2O

SMILES

CN(C)C(=O)NC1CCCCCCC1

Molecular Weight¹

198.31

CAS

2163-69-1

Other Names

• 1,1-Dimethyl-3-cyclooctylurea
• 3-Cyclooctyl-1,1-dimethylharnstoff
• 3-Cyclooctyl-1,1-dimethylurea
• Cyclouron
• HS 61
• N'-Cyclooctyl-N,N-dimethylurea
• N-Cyclooctyl-N',N'-dimethylurea
• OMU
• Urea, 3-cyclooctyl-1,1-dimethyl-
• Urea, N'-cyclooctyl-N,N-dimethyl-

• 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).
• 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	0.5035		Relay (1.0) Calculated Property
ΔfG°	113.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-351.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.60	kJ/mol	Joback Calculated Property
ΔvapH°	83.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	[-2.36; -2.22]
log10WS	-2.36		Aq. Solubility Prediction
log10WS	-2.22		Estimated Solubility
logPoct/wat	2.371		Crippen Calculated Property
McVol	176.520	ml/mol	McGowan Calculated Property
Pc	2643.39	kPa	Joback Calculated Property
Tboil	562.94	K	Relay (1.0) Calculated Property
Tc	794.84	K	Relay (1.0) Calculated Property
Tfus	379.92	K	Relay (1.0) Calculated Property
Vc	0.624	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.71; 580.23]	J/mol×K	[595.65; 811.47]
Cp,gas	473.71	J/mol×K	595.65	Joback Calculated Property
Cp,gas	494.59	J/mol×K	631.62	Joback Calculated Property
Cp,gas	514.19	J/mol×K	667.59	Joback Calculated Property
Cp,gas	532.52	J/mol×K	703.56	Joback Calculated Property
Cp,gas	549.62	J/mol×K	739.53	Joback Calculated Property
Cp,gas	565.51	J/mol×K	775.50	Joback Calculated Property
Cp,gas	580.23	J/mol×K	811.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cycluron.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.