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_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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1625.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.93	kJ/mol	Joback Calculated Property
ΔvapH°	61.21	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	0.473		Crippen Calculated Property
McVol	123.240	ml/mol	McGowan Calculated Property
Pc	2770.08	kPa	Joback Calculated Property
Inp	[971.00; 971.00]
Inp	971.00		NIST
Inp	971.00		NIST
Tboil	432.36	K	Relay (1.0) Calculated Property
Tfus	300.20	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[301.73; 350.38]	J/mol×K	[489.03; 655.03]
Cp,gas	301.73	J/mol×K	489.03	Joback Calculated Property
Cp,gas	311.26	J/mol×K	516.70	Joback Calculated Property
Cp,gas	320.19	J/mol×K	544.36	Joback Calculated Property
Cp,gas	328.54	J/mol×K	572.03	Joback Calculated Property
Cp,gas	336.34	J/mol×K	599.69	Joback Calculated Property
Cp,gas	343.62	J/mol×K	627.36	Joback Calculated Property
Cp,gas	350.38	J/mol×K	655.03	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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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