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

InChI

InChI=1S/C12H18F5NO3/c1-3-4-5-6-7-21-9(19)8-18(2)10(20)11(13,14)12(15,16)17/h3-8H2,1-2H3

InChI Key

HZESFLLANFNAGC-UHFFFAOYSA-N

Formula

C12H18F5NO3

SMILES

CCCCCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

319.27

• 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	0.7079		Relay (1.0) Calculated Property
ΔfG°	-1170.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-1726.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.81	kJ/mol	Joback Calculated Property
ΔvapH°	68.51	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-3.55		Relay (1.0) Calculated Property
logPoct/wat	2.766		Crippen Calculated Property
McVol	207.780	ml/mol	McGowan Calculated Property
Pc	1665.97	kPa	Joback Calculated Property
Inp	[1466.00; 1466.00]
Inp	1466.00		NIST
Inp	1466.00		NIST
Tboil	498.33	K	Relay (1.0) Calculated Property
Tc	632.44	K	Relay (1.0) Calculated Property
Tfus	246.40	K	Relay (1.0) Calculated Property
Vc	0.776	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.97; 643.79]	J/mol×K	[606.45; 767.21]
Cp,gas	572.97	J/mol×K	606.45	Joback Calculated Property
Cp,gas	586.50	J/mol×K	633.24	Joback Calculated Property
Cp,gas	599.30	J/mol×K	660.04	Joback Calculated Property
Cp,gas	611.40	J/mol×K	686.83	Joback Calculated Property
Cp,gas	622.83	J/mol×K	713.62	Joback Calculated Property
Cp,gas	633.61	J/mol×K	740.41	Joback Calculated Property
Cp,gas	643.79	J/mol×K	767.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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