Chemical Properties of Sarcosine, n-heptafluorobutyryl-, isohexyl ester

InChI

InChI=1S/C13H18F7NO3/c1-8(2)5-4-6-24-9(22)7-21(3)10(23)11(14,15)12(16,17)13(18,19)20/h8H,4-7H2,1-3H3

InChI Key

QYZDIFAFDRFMFB-UHFFFAOYSA-N

Formula

C13H18F7NO3

SMILES

CC(C)CCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

369.28

• 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	0.7135		Relay (1.0) Calculated Property
ΔfG°	-1551.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-2151.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.63	kJ/mol	Joback Calculated Property
ΔvapH°	69.71	kJ/mol	Relay (1.0) Calculated Property
IE	9.39	eV	Relay (1.0) Calculated Property
log10WS	-4.33		Relay (1.0) Calculated Property
logPoct/wat	3.257		Crippen Calculated Property
McVol	225.410	ml/mol	McGowan Calculated Property
Pc	1469.10	kPa	Joback Calculated Property
Inp	[1448.00; 1448.00]
Inp	1448.00		NIST
Inp	1448.00		NIST
Tboil	504.63	K	Relay (1.0) Calculated Property
Tc	635.86	K	Relay (1.0) Calculated Property
Tfus	249.73	K	Relay (1.0) Calculated Property
Vc	0.838	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[644.21; 715.32]	J/mol×K	[624.20; 783.18]
Cp,gas	644.21	J/mol×K	624.20	Joback Calculated Property
Cp,gas	657.94	J/mol×K	650.70	Joback Calculated Property
Cp,gas	670.86	J/mol×K	677.19	Joback Calculated Property
Cp,gas	683.02	J/mol×K	703.69	Joback Calculated Property
Cp,gas	694.46	J/mol×K	730.18	Joback Calculated Property
Cp,gas	705.21	J/mol×K	756.68	Joback Calculated Property
Cp,gas	715.32	J/mol×K	783.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, n-heptafluorobutyryl-, isohexyl ester.

Sources

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

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