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

InChI

InChI=1S/C20H31F7O4/c1-2-3-4-5-6-7-8-9-10-14-30-16(28)12-11-13-17(29)31-15-18(21,22)19(23,24)20(25,26)27/h2-15H2,1H3

InChI Key

KXKYGINWGSUGTG-UHFFFAOYSA-N

Formula

C20H31F7O4

SMILES

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

Molecular Weight¹

468.45

• 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°	-1705.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-2344.75	kJ/mol	Joback Calculated Property
ΔfusH°	52.45	kJ/mol	Joback Calculated Property
ΔvapH°	68.82	kJ/mol	Joback Calculated Property
log10WS	-7.21		Crippen Calculated Property
logPoct/wat	6.607		Crippen Calculated Property
McVol	319.930	ml/mol	McGowan Calculated Property
Pc	916.05	kPa	Joback Calculated Property
Inp	[2258.00; 2258.00]
Inp	2258.00		NIST
Inp	2258.00		NIST
Tboil	794.78	K	Joback Calculated Property
Tc	973.05	K	Joback Calculated Property
Tfus	470.87	K	Joback Calculated Property
Vc	1.296	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1024.67; 1109.74]	J/mol×K	[794.78; 973.05]
Cp,gas	1024.67	J/mol×K	794.78	Joback Calculated Property
Cp,gas	1041.13	J/mol×K	824.49	Joback Calculated Property
Cp,gas	1056.61	J/mol×K	854.20	Joback Calculated Property
Cp,gas	1071.15	J/mol×K	883.91	Joback Calculated Property
Cp,gas	1084.81	J/mol×K	913.63	Joback Calculated Property
Cp,gas	1097.66	J/mol×K	943.34	Joback Calculated Property
Cp,gas	1109.74	J/mol×K	973.05	Joback Calculated Property

Similar Compounds

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

Sources

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

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