Chemical Properties of Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-hexyl-

InChI

InChI=1S/C16H29Cl2NO2/c1-2-3-4-9-14-19(15(20)10-5-7-12-17)16(21)11-6-8-13-18/h2-14H2,1H3

InChI Key

AQBXHVHEIJYJDC-UHFFFAOYSA-N

Formula

C16H29Cl2NO2

SMILES

CCCCCCN(C(=O)CCCCCl)C(=O)CCCCCl

Molecular Weight¹

338.31

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.9174		Relay (1.0) Calculated Property
ΔfH°gas	-701.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.81	kJ/mol	Joback Calculated Property
ΔvapH°	87.76	kJ/mol	Relay (1.0) Calculated Property
IE	9.49	eV	Relay (1.0) Calculated Property
log10WS	-4.39		Relay (1.0) Calculated Property
logPoct/wat	4.740		Crippen Calculated Property
McVol	273.900	ml/mol	McGowan Calculated Property
Pc	1367.69	kPa	Joback Calculated Property
Inp	[2438.00; 2438.00]
Inp	2438.00		NIST
Inp	2438.00		NIST
Tboil	601.99	K	Relay (1.0) Calculated Property
Tc	827.30	K	Relay (1.0) Calculated Property
Tfus	311.52	K	Relay (1.0) Calculated Property
Vc	1.004	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation 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	[389.07; 877.39]	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			1.81530e+01
Coefficient B			1.60532e+00
Coefficient C			-9.62600e-04
Coefficient D			2.16520e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	389.07	J/mol×K	273.00	Calculated Property
Cp,gas	475.19	J/mol×K	353.78	Calculated Property
Cp,gas	551.75	J/mol×K	434.56	Calculated Property
Cp,gas	619.42	J/mol×K	515.33	Calculated Property
Cp,gas	678.91	J/mol×K	596.11	Calculated Property
Cp,gas	730.88	J/mol×K	676.89	Calculated Property
Cp,gas	776.04	J/mol×K	757.67	Calculated Property
Cp,gas	815.05	J/mol×K	838.44	Calculated Property
Cp,gas	848.61	J/mol×K	919.22	Calculated Property
Cp,gas	877.39	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-hexyl-.

Sources

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

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