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-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.60	kJ/mol	Joback 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
Tfus	369.62	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.83; 580.34]	J/mol×K	[595.85; 811.75]
Cp,gas	473.83	J/mol×K	595.85	Joback Calculated Property
Cp,gas	494.71	J/mol×K	631.83	Joback Calculated Property
Cp,gas	514.31	J/mol×K	667.82	Joback Calculated Property
Cp,gas	532.63	J/mol×K	703.80	Joback Calculated Property
Cp,gas	549.73	J/mol×K	739.78	Joback Calculated Property
Cp,gas	565.62	J/mol×K	775.76	Joback Calculated Property
Cp,gas	580.34	J/mol×K	811.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cycluron.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.