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

InChI

InChI=1S/C23H40F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-20(30)19-29(2)21(31)22(24,25)23(26,27)28/h3-19H2,1-2H3

InChI Key

PXDKOQBLZXPDSQ-UHFFFAOYSA-N

Formula

C23H40F5NO3

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

473.56

• 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	1.1128		Relay (1.0) Calculated Property
ΔfG°	-1077.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1945.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.30	kJ/mol	Joback Calculated Property
ΔvapH°	112.06	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-7.21		Relay (1.0) Calculated Property
logPoct/wat	7.057		Crippen Calculated Property
McVol	362.770	ml/mol	McGowan Calculated Property
Pc	813.53	kPa	Joback Calculated Property
Inp	[2524.00; 2524.00]
Inp	2524.00		NIST
Inp	2524.00		NIST
Tboil	612.90	K	Relay (1.0) Calculated Property
Tc	749.15	K	Relay (1.0) Calculated Property
Tfus	298.90	K	Relay (1.0) Calculated Property
Vc	1.372	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1203.03; 1302.48]	J/mol×K	[858.13; 1053.27]
Cp,gas	1203.03	J/mol×K	858.13	Joback Calculated Property
Cp,gas	1222.25	J/mol×K	890.65	Joback Calculated Property
Cp,gas	1240.30	J/mol×K	923.18	Joback Calculated Property
Cp,gas	1257.26	J/mol×K	955.70	Joback Calculated Property
Cp,gas	1273.23	J/mol×K	988.23	Joback Calculated Property
Cp,gas	1288.27	J/mol×K	1020.75	Joback Calculated Property
Cp,gas	1302.48	J/mol×K	1053.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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