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

InChI

InChI=1S/C9H12F5NO3/c1-3-4-18-6(16)5-15(2)7(17)8(10,11)9(12,13)14/h3-5H2,1-2H3

InChI Key

QETYKYOJQVUYGB-UHFFFAOYSA-N

Formula

C9H12F5NO3

SMILES

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

Molecular Weight¹

277.19

• 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	0.5891		Relay (1.0) Calculated Property
ΔfG°	-1195.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-1662.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.04	kJ/mol	Joback Calculated Property
ΔvapH°	58.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.53	eV	Relay (1.0) Calculated Property
log10WS	-2.26		Relay (1.0) Calculated Property
logPoct/wat	1.596		Crippen Calculated Property
McVol	165.510	ml/mol	McGowan Calculated Property
Pc	2139.38	kPa	Joback Calculated Property
Inp	[1173.00; 1173.00]
Inp	1173.00		NIST
Inp	1173.00		NIST
Tboil	459.54	K	Relay (1.0) Calculated Property
Tc	587.32	K	Relay (1.0) Calculated Property
Tfus	236.62	K	Relay (1.0) Calculated Property
Vc	0.616	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[425.86; 487.89]	J/mol×K	[537.81; 699.50]
Cp,gas	425.86	J/mol×K	537.81	Joback Calculated Property
Cp,gas	437.78	J/mol×K	564.76	Joback Calculated Property
Cp,gas	449.04	J/mol×K	591.71	Joback Calculated Property
Cp,gas	459.65	J/mol×K	618.66	Joback Calculated Property
Cp,gas	469.64	J/mol×K	645.61	Joback Calculated Property
Cp,gas	479.05	J/mol×K	672.55	Joback Calculated Property
Cp,gas	487.89	J/mol×K	699.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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