Chemical Properties of Cyclo-Ile-Pro-diketopiperazine

InChI

InChI=1S/C11H18N2O2/c1-3-7(2)9-11(15)13-6-4-5-8(13)10(14)12-9/h7-9H,3-6H2,1-2H3,(H,12,14)

InChI Key

ZDACRNZBFJOLTC-UHFFFAOYSA-N

Formula

C11H18N2O2

SMILES

CCC(C)C1NC(=O)C2CCCN2C1=O

Molecular Weight¹

210.27

• 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).
• 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	0.5394		Relay (1.0) Calculated Property
ΔfG°	-57.39	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-434.50	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	88.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	-1.76		Relay (1.0) Calculated Property
logPoct/wat	0.522		Crippen Calculated Property
McVol	167.230	ml/mol	McGowan Calculated Property
Pc	2436.43	kPa	Relay (1.0-beta) Calculated Property
Inp	[1478.00; 1478.00]
Inp	1478.00		NIST
Inp	1478.00		NIST
Tboil	576.03	K	Relay (1.0) Calculated Property
Tc	844.56	K	Relay (1.0) Calculated Property
Tfus	415.66	K	Relay (1.0) Calculated Property
Vc	0.592	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Cyclo-Ile-Pro-diketopiperazine.

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
• Crippen Method
• McGowan Method
• NIST Webbook

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