Chemical Properties of l-Valine, n-heptafluorobutyryl-, propyl ester

InChI

InChI=1S/C12H16F7NO3/c1-4-5-23-8(21)7(6(2)3)20-9(22)10(13,14)11(15,16)12(17,18)19/h6-7H,4-5H2,1-3H3,(H,20,22)

InChI Key

WSTNRUHXTIIYGL-UHFFFAOYSA-N

Formula

C12H16F7NO3

SMILES

CCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)C

Molecular Weight¹

355.25

• 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).
• 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	0.6420		Relay (1.0) Calculated Property
ΔfG°	-1583.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-2167.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.59	kJ/mol	Joback Calculated Property
ΔvapH°	67.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-4.41		Relay (1.0) Calculated Property
logPoct/wat	2.913		Crippen Calculated Property
McVol	211.320	ml/mol	McGowan Calculated Property
Pc	1612.88	kPa	Joback Calculated Property
Inp	[1257.00; 1257.00]
Inp	1257.00		NIST
Inp	1257.00		NIST
Tboil	476.41	K	Relay (1.0) Calculated Property
Tc	620.67	K	Relay (1.0) Calculated Property
Tfus	303.00	K	Relay (1.0) Calculated Property
Vc	0.766	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[609.87; 675.55]	J/mol×K	[638.61; 803.83]
Cp,gas	609.87	J/mol×K	638.61	Joback Calculated Property
Cp,gas	622.65	J/mol×K	666.15	Joback Calculated Property
Cp,gas	634.65	J/mol×K	693.68	Joback Calculated Property
Cp,gas	645.89	J/mol×K	721.22	Joback Calculated Property
Cp,gas	656.43	J/mol×K	748.76	Joback Calculated Property
Cp,gas	666.30	J/mol×K	776.30	Joback Calculated Property
Cp,gas	675.55	J/mol×K	803.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Valine, n-heptafluorobutyryl-, propyl ester.

Sources

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

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