Chemical Properties of Butyl perfluoroheptanoate

InChI

InChI=1S/C11H9F13O2/c1-2-3-4-26-5(25)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2-4H2,1H3

InChI Key

GXVAUAFNGNFJBL-UHFFFAOYSA-N

Formula

C11H9F13O2

SMILES

CCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

420.17

Other Names

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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6308		Relay (1.0) Calculated Property
ΔfH°gas	-3180.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.17	kJ/mol	Joback Calculated Property
ΔvapH°	59.16	kJ/mol	Relay (1.0) Calculated Property
IE	10.79	eV	Relay (1.0) Calculated Property
log10WS	-6.49		Relay (1.0) Calculated Property
logPoct/wat	5.069		Crippen Calculated Property
McVol	196.300	ml/mol	McGowan Calculated Property
Pc	1331.98	kPa	Joback Calculated Property
Inp	[898.00; 898.40]
Inp	898.00		NIST
Inp	898.40		NIST
Tboil	446.33	K	Relay (1.0) Calculated Property
Tc	567.29	K	Relay (1.0) Calculated Property
Tfus	240.92	K	Relay (1.0) Calculated Property
Vc	0.789	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[529.58; 599.22]	J/mol×K	[480.63; 612.48]
Cp,gas	529.58	J/mol×K	480.63	Joback Calculated Property
Cp,gas	543.17	J/mol×K	502.60	Joback Calculated Property
Cp,gas	555.91	J/mol×K	524.58	Joback Calculated Property
Cp,gas	567.85	J/mol×K	546.55	Joback Calculated Property
Cp,gas	579.03	J/mol×K	568.53	Joback Calculated Property
Cp,gas	589.47	J/mol×K	590.50	Joback Calculated Property
Cp,gas	599.22	J/mol×K	612.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyl perfluoroheptanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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