Chemical Properties of Pentadecafluorooctanoic acid, 8-chlorooctyl ester

InChI

InChI=1S/C16H16ClF15O2/c17-7-5-3-1-2-4-6-8-34-9(33)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)32/h1-8H2

InChI Key

SJEQZDCUDPWWAO-UHFFFAOYSA-N

Formula

C16H16ClF15O2

SMILES

O=C(OCCCCCCCCCl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

560.73

• 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°	-3064.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-3637.01	kJ/mol	Joback Calculated Property
ΔfusH°	38.48	kJ/mol	Joback Calculated Property
ΔvapH°	43.42	kJ/mol	Joback Calculated Property
log10WS	-8.08		Crippen Calculated Property
logPoct/wat	7.483		Crippen Calculated Property
McVol	282.530	ml/mol	McGowan Calculated Property
Pc	925.55	kPa	Joback Calculated Property
Inp	[1551.00; 1551.00]
Inp	1551.00		NIST
Inp	1551.00		NIST
Tboil	645.64	K	Joback Calculated Property
Tc	793.13	K	Joback Calculated Property
Tfus	397.95	K	Joback Calculated Property
Vc	1.198	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[846.65; 914.61]	J/mol×K	[645.64; 793.13]
Cp,gas	846.65	J/mol×K	645.64	Joback Calculated Property
Cp,gas	860.05	J/mol×K	670.22	Joback Calculated Property
Cp,gas	872.53	J/mol×K	694.80	Joback Calculated Property
Cp,gas	884.16	J/mol×K	719.39	Joback Calculated Property
Cp,gas	895.01	J/mol×K	743.97	Joback Calculated Property
Cp,gas	905.14	J/mol×K	768.55	Joback Calculated Property
Cp,gas	914.61	J/mol×K	793.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, 8-chlorooctyl ester.

Sources

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

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