Chemical Properties of Pentadecafluorooctanoic acid, propyl ester

InChI

InChI=1S/C11H7F15O2/c1-2-3-28-4(27)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2-3H2,1H3

InChI Key

NLRDSVJADSYYGV-UHFFFAOYSA-N

Formula

C11H7F15O2

SMILES

CCCOC(=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

456.15

• 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°	-3094.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-3518.07	kJ/mol	Joback Calculated Property
ΔfusH°	21.34	kJ/mol	Joback Calculated Property
ΔvapH°	27.91	kJ/mol	Joback Calculated Property
log10WS	-5.84		Crippen Calculated Property
logPoct/wat	5.314		Crippen Calculated Property
McVol	199.840	ml/mol	McGowan Calculated Property
Pc	1303.29	kPa	Joback Calculated Property
Inp	[905.00; 905.00]
Inp	905.00		NIST
Inp	905.00		NIST
Tboil	493.81	K	Joback Calculated Property
Tc	624.73	K	Joback Calculated Property
Tfus	311.68	K	Joback Calculated Property
Vc	0.869	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[556.66; 622.58]	J/mol×K	[493.81; 624.73]
Cp,gas	556.66	J/mol×K	493.81	Joback Calculated Property
Cp,gas	569.65	J/mol×K	515.63	Joback Calculated Property
Cp,gas	581.79	J/mol×K	537.45	Joback Calculated Property
Cp,gas	593.11	J/mol×K	559.27	Joback Calculated Property
Cp,gas	603.65	J/mol×K	581.09	Joback Calculated Property
Cp,gas	613.47	J/mol×K	602.91	Joback Calculated Property
Cp,gas	622.58	J/mol×K	624.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, propyl ester.

Sources

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

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