Chemical Properties of 2,5-Piperazinedione, 3,6-bis(2-methylpropyl)- (CAS 1436-27-7)

InChI

InChI=1S/C12H22N2O2/c1-7(2)5-9-11(15)14-10(6-8(3)4)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)

InChI Key

XWYXUMDVQIOAPR-UHFFFAOYSA-N

Formula

C12H22N2O2

SMILES

CC(C)CC1NC(=O)C(CC(C)C)NC1=O

Molecular Weight¹

226.32

CAS

1436-27-7

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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	0.6002		Relay (1.0) Calculated Property
ΔcH°solid	[-7239.90; -7231.20]	kJ/mol
ΔcH°solid	-7231.20	kJ/mol	NIST
ΔcH°solid	-7239.90	kJ/mol	NIST
ΔfG°	-7.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-512.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.90	kJ/mol	Joback Calculated Property
ΔvapH°	98.07	kJ/mol	Relay (1.0) Calculated Property
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	-2.97		Relay (1.0) Calculated Property
logPoct/wat	1.062		Crippen Calculated Property
McVol	192.180	ml/mol	McGowan Calculated Property
Pc	2351.92	kPa	Joback Calculated Property
Tboil	558.08	K	Relay (1.0) Calculated Property
Tc	798.30	K	Relay (1.0) Calculated Property
Tfus	421.31	K	Relay (1.0) Calculated Property
Vc	0.683	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[581.34; 679.55]	J/mol×K	[720.70; 954.38]
Cp,gas	581.34	J/mol×K	720.70	Joback Calculated Property
Cp,gas	601.42	J/mol×K	759.65	Joback Calculated Property
Cp,gas	620.10	J/mol×K	798.59	Joback Calculated Property
Cp,gas	637.32	J/mol×K	837.54	Joback Calculated Property
Cp,gas	653.00	J/mol×K	876.48	Joback Calculated Property
Cp,gas	667.10	J/mol×K	915.43	Joback Calculated Property
Cp,gas	679.55	J/mol×K	954.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Piperazinedione, 3,6-bis(2-methylpropyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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