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

InChI

InChI=1S/C14H25Cl2NO2/c1-12(2)11-17(13(18)7-3-5-9-15)14(19)8-4-6-10-16/h12H,3-11H2,1-2H3

InChI Key

RETMFOIPBFYLHW-UHFFFAOYSA-N

Formula

C14H25Cl2NO2

SMILES

CC(C)CN(C(=O)CCCCCl)C(=O)CCCCCl

Molecular Weight¹

310.26

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-668.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.11	kJ/mol	Joback Calculated Property
ΔvapH°	81.20	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.816		Crippen Calculated Property
McVol	245.720	ml/mol	McGowan Calculated Property
Inp	[2201.00; 2201.00]
Inp	2201.00		NIST
Inp	2201.00		NIST
Tboil	578.24	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[346.33; 774.75]	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			1.82890e+01
Coefficient B			1.42124e+00
Coefficient C			-8.57000e-04
Coefficient D			1.92220e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	346.33	J/mol×K	273.00	Calculated Property
Cp,gas	422.34	J/mol×K	353.78	Calculated Property
Cp,gas	489.84	J/mol×K	434.56	Calculated Property
Cp,gas	549.42	J/mol×K	515.33	Calculated Property
Cp,gas	601.69	J/mol×K	596.11	Calculated Property
Cp,gas	647.27	J/mol×K	676.89	Calculated Property
Cp,gas	686.75	J/mol×K	757.67	Calculated Property
Cp,gas	720.76	J/mol×K	838.44	Calculated Property
Cp,gas	749.89	J/mol×K	919.22	Calculated Property
Cp,gas	774.75	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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