Chemical Properties of Dodecanoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C17H26F8O2/c1-2-3-4-5-6-7-8-9-10-11-13(26)27-12-15(20,21)17(24,25)16(22,23)14(18)19/h14H,2-12H2,1H3

InChI Key

FYEGKTFMMKLXIW-UHFFFAOYSA-N

Formula

C17H26F8O2

SMILES

CCCCCCCCCCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

414.37

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8798		Relay (... Calculated Property
ΔfG°	-1694.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-2261.29	kJ/mol	Relay (... Calculated Property
ΔfusH°	41.45	kJ/mol	Joback Calculated Property
ΔvapH°	86.66	kJ/mol	Relay (... Calculated Property
IE	10.17	eV	Relay (... Calculated Property
log10WS	-7.16		Relay (... Calculated Property
logPoct/wat	6.622		Crippen Calculated Property
McVol	271.990	ml/mol	McGowan Calculated Property
Pc	1041.25	kPa	Joback Calculated Property
Inp	[1714.00; 1714.00]
Inp	1714.00		NIST
Inp	1714.00		NIST
Tboil	548.63	K	Relay (... Calculated Property
Tc	685.07	K	Relay (... Calculated Property
Tfus	286.88	K	Relay (... Calculated Property
Vc	1.046	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[802.46; 887.19]	J/mol×K	[648.68; 800.50]
Cp,gas	802.46	J/mol×K	648.68	Joback Calculated Property
Cp,gas	818.50	J/mol×K	673.98	Joback Calculated Property
Cp,gas	833.72	J/mol×K	699.29	Joback Calculated Property
Cp,gas	848.16	J/mol×K	724.59	Joback Calculated Property
Cp,gas	861.86	J/mol×K	749.89	Joback Calculated Property
Cp,gas	874.86	J/mol×K	775.20	Joback Calculated Property
Cp,gas	887.19	J/mol×K	800.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dodecanoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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