Chemical Properties of Isocarbamid (CAS 30979-48-7)

InChI

InChI=1S/C8H15N3O2/c1-6(2)5-10-8(13)11-4-3-9-7(11)12/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13)

InChI Key

SBYAVOHNDJTVPA-UHFFFAOYSA-N

Formula

C8H15N3O2

SMILES

CC(C)CNC(=O)N1CCNC1=O

Molecular Weight¹

185.22

CAS

30979-48-7

Other Names

• 1-Imidazolidinecarboxamide, N-(2-methylpropyl)-2-oxo-
• 1-Imidazolidinecarboxamide, N-isobutyl-2-oxo-
• 1-Isobutylcarbamoyl-imidazolin-2-one
• Azolamide
• BAY 94871
• Imidazolidin-2-on-1-carbonsaeure-isobutylamid
• Imidazolin-2-one, 1-isobutylcarbamoyl-
• Imizolamid
• Isocarbamide
• Isolamid
• MNF 166
• Merpelan AZ
• N-Isobutyl-2-oxo-1-imidazolidinecarboxamide
• N-isobutyl-2-oxoimidazolidine-1-carboxamide
• Ozolamid

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.6455		Relay (1.0) Calculated Property
ΔfG°	6.06	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-446.86	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	79.97	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	[-2.15; -2.15]
log10WS	-2.15		Aq. Solubility Prediction
log10WS	-2.15		Estimated Solubility
logPoct/wat	0.377		Crippen Calculated Property
McVol	145.800	ml/mol	McGowan Calculated Property
Pc	2763.96	kPa	Relay (1.0-beta) Calculated Property
Tboil	554.20	K	Relay (1.0) Calculated Property
Tc	803.67	K	Relay (1.0) Calculated Property
Tfus	368.65	K	Aq. Solubility Prediction
Vc	0.539	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Isocarbamid.

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
• 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.