Chemical Properties of Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl octadecyl ester

InChI

InChI=1S/C27H45F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-37-23(35)19-18-20-24(36)38-22-25(28,29)26(30,31)27(32,33)34/h2-22H2,1H3

InChI Key

XKMBODQKCJBHJE-UHFFFAOYSA-N

Formula

C27H45F7O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

566.63

• 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°	-1646.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-2489.23	kJ/mol	Joback Calculated Property
ΔfusH°	70.58	kJ/mol	Joback Calculated Property
ΔvapH°	84.40	kJ/mol	Joback Calculated Property
log10WS	-10.14		Crippen Calculated Property
logPoct/wat	9.338		Crippen Calculated Property
McVol	418.560	ml/mol	McGowan Calculated Property
Pc	632.57	kPa	Joback Calculated Property
Inp	[2981.00; 2981.00]
Inp	2981.00		NIST
Inp	2981.00		NIST
Tboil	954.94	K	Joback Calculated Property
Tc	1196.16	K	Joback Calculated Property
Tfus	549.76	K	Joback Calculated Property
Vc	1.688	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1456.42; 1568.47]	J/mol×K	[954.94; 1196.16]
Cp,gas	1456.42	J/mol×K	954.94	Joback Calculated Property
Cp,gas	1478.65	J/mol×K	995.14	Joback Calculated Property
Cp,gas	1499.23	J/mol×K	1035.35	Joback Calculated Property
Cp,gas	1518.33	J/mol×K	1075.55	Joback Calculated Property
Cp,gas	1536.13	J/mol×K	1115.75	Joback Calculated Property
Cp,gas	1552.78	J/mol×K	1155.96	Joback Calculated Property
Cp,gas	1568.47	J/mol×K	1196.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl octadecyl ester.

Sources

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

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