Chemical Properties of Hexyl perfluoroheptanoate

InChI

InChI=1S/C13H13F13O2/c1-2-3-4-5-6-28-7(27)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h2-6H2,1H3

InChI Key

QKPNKAOZGCFPBZ-UHFFFAOYSA-N

Formula

C13H13F13O2

SMILES

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

Molecular Weight¹

448.22

Other Names

• 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptanoic acid hexyl ester

• 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°	-2690.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-3158.38	kJ/mol	Joback Calculated Property
ΔfusH°	27.77	kJ/mol	Joback Calculated Property
ΔvapH°	35.29	kJ/mol	Joback Calculated Property
log10WS	-6.36		Crippen Calculated Property
logPoct/wat	5.849		Crippen Calculated Property
McVol	224.480	ml/mol	McGowan Calculated Property
Pc	1196.48	kPa	Joback Calculated Property
Inp	[1085.00; 1085.30]
Inp	1085.00		NIST
Inp	1085.30		NIST
Tboil	544.26	K	Joback Calculated Property
Tc	681.44	K	Joback Calculated Property
Tfus	330.62	K	Joback Calculated Property
Vc	0.956	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[636.79; 707.17]	J/mol×K	[544.26; 681.44]
Cp,gas	636.79	J/mol×K	544.26	Joback Calculated Property
Cp,gas	650.48	J/mol×K	567.12	Joback Calculated Property
Cp,gas	663.34	J/mol×K	589.99	Joback Calculated Property
Cp,gas	675.39	J/mol×K	612.85	Joback Calculated Property
Cp,gas	686.68	J/mol×K	635.71	Joback Calculated Property
Cp,gas	697.26	J/mol×K	658.58	Joback Calculated Property
Cp,gas	707.17	J/mol×K	681.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexyl perfluoroheptanoate.

Sources

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

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