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

InChI

InChI=1S/C25H42F7NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36-21(34)20-33(2)22(35)23(26,27)24(28,29)25(30,31)32/h3-20H2,1-2H3

InChI Key

LGEZHUOBMHLAQZ-UHFFFAOYSA-N

Formula

C25H42F7NO3

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

537.59

• 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	1.1872		Relay (1.0) Calculated Property
ΔfG°	-1447.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-2368.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	67.23	kJ/mol	Joback Calculated Property
ΔvapH°	118.79	kJ/mol	Relay (1.0) Calculated Property
IE	9.43	eV	Relay (1.0) Calculated Property
log10WS	-8.08		Relay (1.0) Calculated Property
logPoct/wat	8.082		Crippen Calculated Property
McVol	394.490	ml/mol	McGowan Calculated Property
Pc	703.96	kPa	Joback Calculated Property
Inp	[2629.00; 2629.00]
Inp	2629.00		NIST
Inp	2629.00		NIST
Tboil	630.85	K	Relay (1.0) Calculated Property
Tc	754.21	K	Relay (1.0) Calculated Property
Tfus	295.91	K	Relay (1.0) Calculated Property
Vc	1.492	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1342.50; 1449.36]	J/mol×K	[899.20; 1112.76]
Cp,gas	1342.50	J/mol×K	899.20	Joback Calculated Property
Cp,gas	1363.10	J/mol×K	934.79	Joback Calculated Property
Cp,gas	1382.40	J/mol×K	970.39	Joback Calculated Property
Cp,gas	1400.54	J/mol×K	1005.98	Joback Calculated Property
Cp,gas	1417.65	J/mol×K	1041.57	Joback Calculated Property
Cp,gas	1433.88	J/mol×K	1077.16	Joback Calculated Property
Cp,gas	1449.36	J/mol×K	1112.76	Joback Calculated Property

Similar Compounds

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

Sources

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

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