Chemical Properties of Heptadecafluorononanoic acid, dodecyl ester

InChI

InChI=1S/C21H25F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-40-13(39)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h2-12H2,1H3

InChI Key

JNWYTNPCXKXCEK-UHFFFAOYSA-N

Formula

C21H25F17O2

SMILES

CCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

632.39

• 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°	-3397.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-4125.44	kJ/mol	Joback Calculated Property
ΔfusH°	45.98	kJ/mol	Joback Calculated Property
ΔvapH°	47.24	kJ/mol	Joback Calculated Property
log10WS	-10.34		Crippen Calculated Property
logPoct/wat	9.460		Crippen Calculated Property
McVol	344.280	ml/mol	McGowan Calculated Property
Pc	692.16	kPa	Joback Calculated Property
Inp	[1665.00; 1665.00]
Inp	1665.00		NIST
Inp	1665.00		NIST
Tboil	717.92	K	Joback Calculated Property
Tc	880.38	K	Joback Calculated Property
Tfus	427.98	K	Joback Calculated Property
Vc	1.454	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1111.47; 1195.43]	J/mol×K	[717.92; 880.38]
Cp,gas	1111.47	J/mol×K	717.92	Joback Calculated Property
Cp,gas	1127.89	J/mol×K	745.00	Joback Calculated Property
Cp,gas	1143.20	J/mol×K	772.07	Joback Calculated Property
Cp,gas	1157.51	J/mol×K	799.15	Joback Calculated Property
Cp,gas	1170.92	J/mol×K	826.23	Joback Calculated Property
Cp,gas	1183.52	J/mol×K	853.30	Joback Calculated Property
Cp,gas	1195.43	J/mol×K	880.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Heptadecafluorononanoic acid, dodecyl ester.

Sources

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

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