Chemical Properties of Sebacic acid, di(2-(pentafluorophenoxy)ethyl) ester

InChI

InChI=1S/C26H24F10O6/c27-15-17(29)21(33)25(22(34)18(15)30)41-11-9-39-13(37)7-5-3-1-2-4-6-8-14(38)40-10-12-42-26-23(35)19(31)16(28)20(32)24(26)36/h1-12H2

InChI Key

KKVWNYRSUPTDOU-UHFFFAOYSA-N

Formula

C26H24F10O6

SMILES

O=C(CCCCCCCCC(=O)OCCOc1c(F)c(F)c(F)c(F)c1F)OCCOc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

622.45

• 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°	-2329.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-2936.75	kJ/mol	Joback Calculated Property
ΔfusH°	86.04	kJ/mol	Joback Calculated Property
ΔvapH°	99.60	kJ/mol	Joback Calculated Property
log10WS	-9.42		Crippen Calculated Property
logPoct/wat	6.743		Crippen Calculated Property
McVol	374.000	ml/mol	McGowan Calculated Property
Pc	774.18	kPa	Joback Calculated Property
Inp	[2902.00; 2902.00]
Inp	2902.00		NIST
Inp	2902.00		NIST
Tboil	1087.56	K	Joback Calculated Property
Tc	1380.38	K	Joback Calculated Property
Tfus	755.50	K	Joback Calculated Property
Vc	1.540	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1241.72; 1259.59]	J/mol×K	[1087.56; 1380.38]
Cp,gas	1241.72	J/mol×K	1087.56	Joback Calculated Property
Cp,gas	1251.22	J/mol×K	1136.36	Joback Calculated Property
Cp,gas	1257.20	J/mol×K	1185.17	Joback Calculated Property
Cp,gas	1259.59	J/mol×K	1233.97	Joback Calculated Property
Cp,gas	1258.33	J/mol×K	1282.77	Joback Calculated Property
Cp,gas	1253.37	J/mol×K	1331.57	Joback Calculated Property
Cp,gas	1244.65	J/mol×K	1380.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(2-(pentafluorophenoxy)ethyl) ester.

Sources

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

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