Chemical Properties of Pentadecafluorooctanoic acid, 3-methylbut-2-yl ester

InChI

InChI=1S/C13H11F15O2/c1-4(2)5(3)30-6(29)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h4-5H,1-3H3

InChI Key

IHUFQUGUZNPEEO-UHFFFAOYSA-N

Formula

C13H11F15O2

SMILES

CC(C)C(C)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

484.20

• 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°	-3082.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-3569.91	kJ/mol	Joback Calculated Property
ΔfusH°	19.47	kJ/mol	Joback Calculated Property
ΔvapH°	31.58	kJ/mol	Joback Calculated Property
log10WS	-6.54		Crippen Calculated Property
logPoct/wat	5.948		Crippen Calculated Property
McVol	228.020	ml/mol	McGowan Calculated Property
Pc	1152.22	kPa	Joback Calculated Property
Inp	[972.00; 972.00]
Inp	972.00		NIST
Inp	972.00		NIST
Tboil	538.69	K	Joback Calculated Property
Tc	675.53	K	Joback Calculated Property
Tfus	304.22	K	Joback Calculated Property
Vc	0.969	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[656.13; 726.96]	J/mol×K	[538.69; 675.53]
Cp,gas	656.13	J/mol×K	538.69	Joback Calculated Property
Cp,gas	670.09	J/mol×K	561.50	Joback Calculated Property
Cp,gas	683.12	J/mol×K	584.30	Joback Calculated Property
Cp,gas	695.27	J/mol×K	607.11	Joback Calculated Property
Cp,gas	706.60	J/mol×K	629.92	Joback Calculated Property
Cp,gas	717.14	J/mol×K	652.73	Joback Calculated Property
Cp,gas	726.96	J/mol×K	675.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, 3-methylbut-2-yl ester.

Sources

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

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