Chemical Properties of Valnoctamide

InChI

InChI=1S/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10)/t6-,7-/m1/s1

InChI Key

QRCJOCOSPZMDJY-UHFFFAOYSA-N

Formula

C8H17NO

SMILES

CCC(C)C(CC)C(N)=O

Molecular Weight¹

143.23

Other Names

• (2R,3R)-2-ethyl-3-methylpentanamide

• 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).
• 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	0.5342		Relay (1.0) Calculated Property
ΔfG°	-50.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-410.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	82.40	kJ/mol	Validation of the Vaporization Enthalpies of Some Simple Aliphatic Amides and Their Use in the Evaluation of the Vaporization Enthalpy of Valpromide and Valnoctamide
ΔvapH°	60.98	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
logPoct/wat	1.544		Crippen Calculated Property
McVol	135.130	ml/mol	McGowan Calculated Property
Pc	2921.84	kPa	Joback Calculated Property
Inp	[1220.00; 1250.00]
Inp	1250.00		NIST
Inp	1240.00		NIST
Inp	1220.00		NIST
Inp	1240.00		NIST
Inp	1250.00		NIST
Tboil	459.38	K	Relay (1.0) Calculated Property
Tc	684.85	K	Relay (1.0) Calculated Property
Tfus	275.60	K	Relay (1.0) Calculated Property
Vc	0.471	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.86; 458.12]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.10200e+00
Coefficient B			8.09560e-01
Coefficient C			-4.42500e-04
Coefficient D			8.49600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.86	J/mol×K	273.00	Calculated Property
Cp,gas	240.89	J/mol×K	353.78	Calculated Property
Cp,gas	281.31	J/mol×K	434.56	Calculated Property
Cp,gas	317.41	J/mol×K	515.33	Calculated Property
Cp,gas	349.44	J/mol×K	596.11	Calculated Property
Cp,gas	377.69	J/mol×K	676.89	Calculated Property
Cp,gas	402.41	J/mol×K	757.67	Calculated Property
Cp,gas	423.88	J/mol×K	838.44	Calculated Property
Cp,gas	442.36	J/mol×K	919.22	Calculated Property
Cp,gas	458.12	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Valnoctamide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Validation of the Vaporization Enthalpies of Some Simple Aliphatic Amides and Their Use in the Evaluation of the Vaporization Enthalpy of Valpromide and Valnoctamide
• Joback Method
• McGowan Method
• NIST Webbook

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