Chemical Properties of Val-Pro lactam

InChI

InChI=1S/C13H18N2O4/c1-7(2)10-13(19)14-6-4-5-9(14)12(18)15(10)11(17)8(3)16/h7,9-10H,4-6H2,1-3H3

InChI Key

FWPQHUKROPLSJL-UHFFFAOYSA-N

Formula

C13H18N2O4

SMILES

CC(=O)C(=O)N1C(=O)C2CCCN2C(=O)C1C(C)C

Molecular Weight¹

266.29

• 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	0.6363		Relay (1.0) Calculated Property
ΔfG°	-260.59	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-657.40	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	89.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	-1.32		Relay (1.0) Calculated Property
logPoct/wat	-0.040		Crippen Calculated Property
McVol	198.550	ml/mol	McGowan Calculated Property
Pc	1872.55	kPa	Relay (1.0-beta) Calculated Property
Inp	[1810.00; 1810.00]
Inp	1810.00		NIST
Inp	1810.00		NIST
Tboil	576.39	K	Relay (1.0) Calculated Property
Tc	876.37	K	Relay (1.0) Calculated Property
Tfus	423.64	K	Relay (1.0) Calculated Property
Vc	0.717	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Val-Pro lactam.

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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