Chemical Properties of Sarcosine, n-pentafluorobenzoyl-, dodecyl ester

InChI

InChI=1S/C22H30F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-31-15(29)14-28(2)22(30)16-17(23)19(25)21(27)20(26)18(16)24/h3-14H2,1-2H3

InChI Key

DUPNDXBNTXNZHD-UHFFFAOYSA-N

Formula

C22H30F5NO3

SMILES

CCCCCCCCCCCCOC(=O)CN(C)C(=O)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

451.47

• 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°	-1027.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-1588.63	kJ/mol	Joback Calculated Property
ΔfusH°	67.64	kJ/mol	Joback Calculated Property
ΔvapH°	84.01	kJ/mol	Joback Calculated Property
log10WS	-7.58		Crippen Calculated Property
logPoct/wat	5.918		Crippen Calculated Property
McVol	324.920	ml/mol	McGowan Calculated Property
Pc	981.46	kPa	Joback Calculated Property
Inp	[2558.00; 2558.00]
Inp	2558.00		NIST
Inp	2558.00		NIST
Tboil	893.29	K	Joback Calculated Property
Tc	1094.38	K	Joback Calculated Property
Tfus	584.23	K	Joback Calculated Property
Vc	1.298	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1043.97; 1122.50]	J/mol×K	[893.29; 1094.38]
Cp,gas	1043.97	J/mol×K	893.29	Joback Calculated Property
Cp,gas	1059.84	J/mol×K	926.80	Joback Calculated Property
Cp,gas	1074.55	J/mol×K	960.32	Joback Calculated Property
Cp,gas	1088.14	J/mol×K	993.83	Joback Calculated Property
Cp,gas	1100.64	J/mol×K	1027.35	Joback Calculated Property
Cp,gas	1112.08	J/mol×K	1060.86	Joback Calculated Property
Cp,gas	1122.50	J/mol×K	1094.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, n-pentafluorobenzoyl-, dodecyl ester.

Sources

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

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