Chemical Properties of l-Valine, n-pentafluoropropionyl-, heptyl ester

InChI

InChI=1S/C15H24F5NO3/c1-4-5-6-7-8-9-24-12(22)11(10(2)3)21-13(23)14(16,17)15(18,19)20/h10-11H,4-9H2,1-3H3,(H,21,23)

InChI Key

KABOTEFABDUYAU-UHFFFAOYSA-N

Formula

C15H24F5NO3

SMILES

CCCCCCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)F)C(C)C

Molecular Weight¹

361.35

• 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°	-1171.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-1665.45	kJ/mol	Joback Calculated Property
ΔfusH°	37.62	kJ/mol	Joback Calculated Property
ΔvapH°	63.87	kJ/mol	Joback Calculated Property
log10WS	-4.78		Crippen Calculated Property
logPoct/wat	3.838		Crippen Calculated Property
McVol	250.050	ml/mol	McGowan Calculated Property
Pc	1364.66	kPa	Joback Calculated Property
Inp	[1572.00; 1572.00]
Inp	1572.00		NIST
Inp	1572.00		NIST
Tboil	711.94	K	Joback Calculated Property
Tc	883.04	K	Joback Calculated Property
Tfus	411.35	K	Joback Calculated Property
Vc	0.997	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[752.17; 827.96]	J/mol×K	[711.94; 883.04]
Cp,gas	752.17	J/mol×K	711.94	Joback Calculated Property
Cp,gas	766.75	J/mol×K	740.46	Joback Calculated Property
Cp,gas	780.50	J/mol×K	768.97	Joback Calculated Property
Cp,gas	793.46	J/mol×K	797.49	Joback Calculated Property
Cp,gas	805.66	J/mol×K	826.01	Joback Calculated Property
Cp,gas	817.15	J/mol×K	854.52	Joback Calculated Property
Cp,gas	827.96	J/mol×K	883.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Valine, n-pentafluoropropionyl-, heptyl ester.

Sources

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

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