Chemical Properties of 2,2,3,3,4,4,5,5,6,6,6-Undecafluoro- hexanoic acid hexyl ester

InChI

InChI=1S/C12H13F11O2/c1-2-3-4-5-6-25-7(24)8(13,14)9(15,16)10(17,18)11(19,20)12(21,22)23/h2-6H2,1H3

InChI Key

TXJKATBVTOHLTD-UHFFFAOYSA-N

Formula

C12H13F11O2

SMILES

CCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

398.21

Other Names

• Hexyl perfluorohexanoate

• 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°	-2312.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-2736.77	kJ/mol	Joback Calculated Property
ΔfusH°	26.43	kJ/mol	Joback Calculated Property
ΔvapH°	35.99	kJ/mol	Joback Calculated Property
log10WS	-5.63		Crippen Calculated Property
logPoct/wat	5.213		Crippen Calculated Property
McVol	206.850	ml/mol	McGowan Calculated Property
Pc	1347.68	kPa	Joback Calculated Property
Inp	[1030.00; 1030.50]
Inp	1030.00		NIST
Inp	1030.50		NIST
Inp	1030.00		NIST
Tboil	526.07	K	Joback Calculated Property
Tc	665.85	K	Joback Calculated Property
Tfus	315.75	K	Joback Calculated Property
Vc	0.875	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[567.75; 637.73]	J/mol×K	[526.07; 665.85]
Cp,gas	567.75	J/mol×K	526.07	Joback Calculated Property
Cp,gas	581.28	J/mol×K	549.37	Joback Calculated Property
Cp,gas	594.01	J/mol×K	572.66	Joback Calculated Property
Cp,gas	605.99	J/mol×K	595.96	Joback Calculated Property
Cp,gas	617.24	J/mol×K	619.26	Joback Calculated Property
Cp,gas	627.81	J/mol×K	642.55	Joback Calculated Property
Cp,gas	637.73	J/mol×K	665.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2,3,3,4,4,5,5,6,6,6-Undecafluoro- hexanoic acid hexyl ester.

Sources

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

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