Chemical Properties of Glycine, N-pentafluoropropionyl-, methyl ester

InChI

InChI=1S/C6H6F5NO3/c1-15-3(13)2-12-4(14)5(7,8)6(9,10)11/h2H2,1H3,(H,12,14)

InChI Key

VQVKUEWRCJYNCA-UHFFFAOYSA-N

Formula

C6H6F5NO3

SMILES

COC(=O)CNC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

235.11

• 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°	-1242.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-1469.13	kJ/mol	Joback Calculated Property
ΔfusH°	21.35	kJ/mol	Joback Calculated Property
ΔvapH°	44.61	kJ/mol	Joback Calculated Property
log10WS	-1.14		Crippen Calculated Property
logPoct/wat	0.473		Crippen Calculated Property
McVol	123.240	ml/mol	McGowan Calculated Property
Pc	2893.62	kPa	Joback Calculated Property
Inp	[971.00; 971.00]
Inp	971.00		NIST
Inp	971.00		NIST
Tboil	506.90	K	Joback Calculated Property
Tc	675.79	K	Joback Calculated Property
Tfus	339.92	K	Joback Calculated Property
Vc	0.504	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[305.09; 351.94]	J/mol×K	[506.90; 675.79]
Cp,gas	305.09	J/mol×K	506.90	Joback Calculated Property
Cp,gas	314.24	J/mol×K	535.05	Joback Calculated Property
Cp,gas	322.81	J/mol×K	563.20	Joback Calculated Property
Cp,gas	330.85	J/mol×K	591.34	Joback Calculated Property
Cp,gas	338.37	J/mol×K	619.49	Joback Calculated Property
Cp,gas	345.39	J/mol×K	647.64	Joback Calculated Property
Cp,gas	351.94	J/mol×K	675.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, N-pentafluoropropionyl-, methyl ester.

Sources

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

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