Chemical Properties of Sarcosine, n-pentafluorobenzoyl-, butyl ester

InChI

InChI=1S/C14H14F5NO3/c1-3-4-5-23-7(21)6-20(2)14(22)8-9(15)11(17)13(19)12(18)10(8)16/h3-6H2,1-2H3

InChI Key

XAPWDOHNXMABAC-UHFFFAOYSA-N

Formula

C14H14F5NO3

SMILES

CCCCOC(=O)CN(C)C(=O)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

339.26

• 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°	-1094.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1423.51	kJ/mol	Joback Calculated Property
ΔfusH°	46.92	kJ/mol	Joback Calculated Property
ΔvapH°	66.20	kJ/mol	Joback Calculated Property
log10WS	-4.23		Crippen Calculated Property
logPoct/wat	2.797		Crippen Calculated Property
McVol	212.200	ml/mol	McGowan Calculated Property
Pc	1701.90	kPa	Joback Calculated Property
Inp	[1782.00; 1782.00]
Inp	1782.00		NIST
Inp	1782.00		NIST
Tboil	710.25	K	Joback Calculated Property
Tc	887.26	K	Joback Calculated Property
Tfus	494.07	K	Joback Calculated Property
Vc	0.850	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[588.39; 650.05]	J/mol×K	[710.25; 887.26]
Cp,gas	588.39	J/mol×K	710.25	Joback Calculated Property
Cp,gas	600.26	J/mol×K	739.75	Joback Calculated Property
Cp,gas	611.48	J/mol×K	769.25	Joback Calculated Property
Cp,gas	622.06	J/mol×K	798.75	Joback Calculated Property
Cp,gas	632.01	J/mol×K	828.26	Joback Calculated Property
Cp,gas	641.34	J/mol×K	857.76	Joback Calculated Property
Cp,gas	650.05	J/mol×K	887.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, n-pentafluorobenzoyl-, butyl ester.

Sources

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

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