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

InChI

InChI=1S/C28H41F5O5/c1-2-3-4-5-6-9-12-15-18-36-21(34)16-13-10-7-8-11-14-17-22(35)37-19-20-38-28-26(32)24(30)23(29)25(31)27(28)33/h2-20H2,1H3

InChI Key

JIXLWAZPDVMPKO-UHFFFAOYSA-N

Formula

C28H41F5O5

SMILES

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

Molecular Weight¹

552.61

• 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°	-1297.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-2044.44	kJ/mol	Joback Calculated Property
ΔfusH°	82.53	kJ/mol	Joback Calculated Property
ΔvapH°	100.14	kJ/mol	Joback Calculated Property
log10WS	-9.77		Crippen Calculated Property
logPoct/wat	8.109		Crippen Calculated Property
McVol	411.220	ml/mol	McGowan Calculated Property
Pc	692.52	kPa	Joback Calculated Property
Inp	[3034.00; 3034.00]
Inp	3034.00		NIST
Inp	3034.00		NIST
Tboil	1062.97	K	Joback Calculated Property
Tc	1342.62	K	Joback Calculated Property
Tfus	663.84	K	Joback Calculated Property
Vc	1.651	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1427.28; 1488.15]	J/mol×K	[1062.97; 1342.62]
Cp,gas	1427.28	J/mol×K	1062.97	Joback Calculated Property
Cp,gas	1444.66	J/mol×K	1109.58	Joback Calculated Property
Cp,gas	1459.09	J/mol×K	1156.19	Joback Calculated Property
Cp,gas	1470.61	J/mol×K	1202.79	Joback Calculated Property
Cp,gas	1479.27	J/mol×K	1249.40	Joback Calculated Property
Cp,gas	1485.10	J/mol×K	1296.01	Joback Calculated Property
Cp,gas	1488.15	J/mol×K	1342.62	Joback Calculated Property

Similar Compounds

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

Sources

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

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