Chemical Properties of Pentadecafluorooctanoic acid, dodecyl ester

InChI

InChI=1S/C20H25F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-37-13(36)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h2-12H2,1H3

InChI Key

XWMIMQYCDZVNJM-UHFFFAOYSA-N

Formula

C20H25F15O2

SMILES

CCCCCCCCCCCCOC(=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

582.39

• 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°	-3018.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-3703.83	kJ/mol	Joback Calculated Property
ΔfusH°	44.64	kJ/mol	Joback Calculated Property
ΔvapH°	47.94	kJ/mol	Joback Calculated Property
log10WS	-9.60		Crippen Calculated Property
logPoct/wat	8.825		Crippen Calculated Property
McVol	326.650	ml/mol	McGowan Calculated Property
Pc	757.23	kPa	Joback Calculated Property
Inp	[1642.00; 1642.00]
Inp	1642.00		NIST
Inp	1642.00		NIST
Tboil	699.73	K	Joback Calculated Property
Tc	856.73	K	Joback Calculated Property
Tfus	413.11	K	Joback Calculated Property
Vc	1.373	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1036.22; 1119.25]	J/mol×K	[699.73; 856.73]
Cp,gas	1036.22	J/mol×K	699.73	Joback Calculated Property
Cp,gas	1052.36	J/mol×K	725.90	Joback Calculated Property
Cp,gas	1067.46	J/mol×K	752.06	Joback Calculated Property
Cp,gas	1081.63	J/mol×K	778.23	Joback Calculated Property
Cp,gas	1094.92	J/mol×K	804.40	Joback Calculated Property
Cp,gas	1107.44	J/mol×K	830.56	Joback Calculated Property
Cp,gas	1119.25	J/mol×K	856.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, dodecyl ester.

Sources

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

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