Chemical Properties of L-Valine, N-(5-chlorovaleryl)-, isobutyl ester

InChI

InChI=1S/C14H26ClNO3/c1-10(2)9-19-14(18)13(11(3)4)16-12(17)7-5-6-8-15/h10-11,13H,5-9H2,1-4H3,(H,16,17)

InChI Key

HVHZIDOMBYAFJX-UHFFFAOYSA-N

Formula

C14H26ClNO3

SMILES

CC(C)COC(=O)C(NC(=O)CCCCCl)C(C)C

Molecular Weight¹

291.81

• 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).
• 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
ΔfG°	-225.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-667.78	kJ/mol	Joback Calculated Property
ΔfusH°	35.13	kJ/mol	Joback Calculated Property
ΔvapH°	72.32	kJ/mol	Joback Calculated Property
log10WS	-3.29		Crippen Calculated Property
logPoct/wat	2.735		Crippen Calculated Property
McVol	239.350	ml/mol	McGowan Calculated Property
Pc	1661.90	kPa	Joback Calculated Property
Inp	[2012.00; 2012.00]
Inp	2012.00		NIST
Inp	2012.00		NIST
Tboil	736.16	K	Joback Calculated Property
Tc	926.66	K	Joback Calculated Property
Tfus	407.21	K	Joback Calculated Property
Vc	0.915	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[683.44; 762.30]	J/mol×K	[736.16; 926.66]
Cp,gas	683.44	J/mol×K	736.16	Joback Calculated Property
Cp,gas	698.72	J/mol×K	767.91	Joback Calculated Property
Cp,gas	713.12	J/mol×K	799.66	Joback Calculated Property
Cp,gas	726.65	J/mol×K	831.41	Joback Calculated Property
Cp,gas	739.35	J/mol×K	863.16	Joback Calculated Property
Cp,gas	751.23	J/mol×K	894.91	Joback Calculated Property
Cp,gas	762.30	J/mol×K	926.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(5-chlorovaleryl)-, isobutyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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