Chemical Properties of Sarcosine, n-pentafluoropropionyl-, heptyl ester

InChI

InChI=1S/C13H20F5NO3/c1-3-4-5-6-7-8-22-10(20)9-19(2)11(21)12(14,15)13(16,17)18/h3-9H2,1-2H3

InChI Key

PJEMFNQVJAZNPJ-UHFFFAOYSA-N

Formula

C13H20F5NO3

SMILES

CCCCCCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

333.29

• 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	0.7466		Relay (1.0) Calculated Property
ΔfG°	-1161.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1746.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.40	kJ/mol	Joback Calculated Property
ΔvapH°	71.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-3.99		Relay (1.0) Calculated Property
logPoct/wat	3.156		Crippen Calculated Property
McVol	221.870	ml/mol	McGowan Calculated Property
Pc	1542.71	kPa	Joback Calculated Property
Inp	[1552.00; 1552.00]
Inp	1552.00		NIST
Inp	1552.00		NIST
Tboil	511.32	K	Relay (1.0) Calculated Property
Tc	645.12	K	Relay (1.0) Calculated Property
Tfus	251.06	K	Relay (1.0) Calculated Property
Vc	0.831	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[624.87; 698.20]	J/mol×K	[629.33; 790.37]
Cp,gas	624.87	J/mol×K	629.33	Joback Calculated Property
Cp,gas	638.87	J/mol×K	656.17	Joback Calculated Property
Cp,gas	652.11	J/mol×K	683.01	Joback Calculated Property
Cp,gas	664.63	J/mol×K	709.85	Joback Calculated Property
Cp,gas	676.46	J/mol×K	736.69	Joback Calculated Property
Cp,gas	687.64	J/mol×K	763.53	Joback Calculated Property
Cp,gas	698.20	J/mol×K	790.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, n-pentafluoropropionyl-, heptyl ester.

Sources

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

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