Chemical Properties of Sebacic acid, 1-(pentafluorophenyl)ethyl propyl ester

InChI

InChI=1S/C21H27F5O4/c1-3-12-29-14(27)10-8-6-4-5-7-9-11-15(28)30-13(2)16-17(22)19(24)21(26)20(25)18(16)23/h13H,3-12H2,1-2H3

InChI Key

DLZKCDUZUBDZIX-UHFFFAOYSA-N

Formula

C21H27F5O4

SMILES

CCCOC(=O)CCCCCCCCC(=O)OC(C)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

438.43

• 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°	-1254.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-1773.02	kJ/mol	Joback Calculated Property
ΔfusH°	59.69	kJ/mol	Joback Calculated Property
ΔvapH°	81.77	kJ/mol	Joback Calculated Property
log10WS	-7.56		Crippen Calculated Property
logPoct/wat	6.060		Crippen Calculated Property
McVol	306.720	ml/mol	McGowan Calculated Property
Pc	1038.57	kPa	Joback Calculated Property
Inp	[2327.00; 2327.00]
Inp	2327.00		NIST
Inp	2327.00		NIST
Tboil	879.95	K	Joback Calculated Property
Tc	1077.31	K	Joback Calculated Property
Tfus	547.72	K	Joback Calculated Property
Vc	1.236	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[971.21; 1043.33]	J/mol×K	[879.95; 1077.31]
Cp,gas	971.21	J/mol×K	879.95	Joback Calculated Property
Cp,gas	986.08	J/mol×K	912.84	Joback Calculated Property
Cp,gas	999.80	J/mol×K	945.74	Joback Calculated Property
Cp,gas	1012.38	J/mol×K	978.63	Joback Calculated Property
Cp,gas	1023.82	J/mol×K	1011.52	Joback Calculated Property
Cp,gas	1034.14	J/mol×K	1044.42	Joback Calculated Property
Cp,gas	1043.33	J/mol×K	1077.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 1-(pentafluorophenyl)ethyl propyl ester.

Sources

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

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