Chemical Properties of Sarcosine, N-(2-fluorobenzoyl)-, undecyl ester

InChI

InChI=1S/C21H32FNO3/c1-3-4-5-6-7-8-9-10-13-16-26-20(24)17-23(2)21(25)18-14-11-12-15-19(18)22/h11-12,14-15H,3-10,13,16-17H2,1-2H3

InChI Key

VIPZSKXLBYJMKV-UHFFFAOYSA-N

Formula

C21H32FNO3

SMILES

CCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccccc1F

Molecular Weight¹

365.48

• 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).
• 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
ΔfG°	-218.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-737.67	kJ/mol	Joback Calculated Property
ΔfusH°	54.28	kJ/mol	Joback Calculated Property
ΔvapH°	82.41	kJ/mol	Joback Calculated Property
log10WS	-5.83		Crippen Calculated Property
logPoct/wat	4.972		Crippen Calculated Property
McVol	303.750	ml/mol	McGowan Calculated Property
Pc	1225.98	kPa	Joback Calculated Property
Inp	[2678.00; 2678.00]
Inp	2678.00		NIST
Inp	2678.00		NIST
Tboil	853.41	K	Joback Calculated Property
Tc	1050.11	K	Joback Calculated Property
Tfus	520.52	K	Joback Calculated Property
Vc	1.169	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[957.32; 1040.71]	J/mol×K	[853.41; 1050.11]
Cp,gas	957.32	J/mol×K	853.41	Joback Calculated Property
Cp,gas	973.79	J/mol×K	886.19	Joback Calculated Property
Cp,gas	989.18	J/mol×K	918.98	Joback Calculated Property
Cp,gas	1003.52	J/mol×K	951.76	Joback Calculated Property
Cp,gas	1016.86	J/mol×K	984.54	Joback Calculated Property
Cp,gas	1029.24	J/mol×K	1017.33	Joback Calculated Property
Cp,gas	1040.71	J/mol×K	1050.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2-fluorobenzoyl)-, undecyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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