Chemical Properties of Valeramide, 5-chloro-N-(2-ethylhexyl)-

InChI

InChI=1S/C13H26ClNO/c1-3-5-8-12(4-2)11-15-13(16)9-6-7-10-14/h12H,3-11H2,1-2H3,(H,15,16)

InChI Key

NQNCMKCHFSDKSW-UHFFFAOYSA-N

Formula

C13H26ClNO

SMILES

CCCCC(CC)CNC(=O)CCCCCl

Molecular Weight¹

247.81

• ω : Acentric Factor.
• 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).
• 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	0.7177		Relay (... Calculated Property
ΔfG°	4.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-509.14	kJ/mol	Relay (... Calculated Property
ΔfusH°	36.80	kJ/mol	Joback Calculated Property
ΔvapH°	81.73	kJ/mol	Relay (... Calculated Property
IE	9.16	eV	Relay (... Calculated Property
log10WS	-3.66		Relay (... Calculated Property
logPoct/wat	3.728		Crippen Calculated Property
McVol	217.820	ml/mol	McGowan Calculated Property
Pc	1708.95	kPa	Joback Calculated Property
Inp	[1933.00; 1933.00]
Inp	1933.00		NIST
Inp	1933.00		NIST
Tboil	565.77	K	Relay (... Calculated Property
Tc	776.73	K	Relay (... Calculated Property
Tfus	268.91	K	Relay (... Calculated Property
Vc	0.770	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[577.49; 662.12]	J/mol×K	[637.87; 816.96]
Cp,gas	577.49	J/mol×K	637.87	Joback Calculated Property
Cp,gas	593.43	J/mol×K	667.72	Joback Calculated Property
Cp,gas	608.60	J/mol×K	697.57	Joback Calculated Property
Cp,gas	623.03	J/mol×K	727.42	Joback Calculated Property
Cp,gas	636.74	J/mol×K	757.27	Joback Calculated Property
Cp,gas	649.76	J/mol×K	787.11	Joback Calculated Property
Cp,gas	662.12	J/mol×K	816.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Valeramide, 5-chloro-N-(2-ethylhexyl)-.

Sources

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

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