Chemical Properties of Pentadecafluorooctanoic acid, 4-methyl-2-pentyl ester

InChI

InChI=1S/C14H13F15O2/c1-5(2)4-6(3)31-7(30)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h5-6H,4H2,1-3H3

InChI Key

YZOUNFAPKKPCKB-UHFFFAOYSA-N

Formula

C14H13F15O2

SMILES

CC(C)CC(C)OC(=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

498.23

• 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	0.6718		Relay (1.0) Calculated Property
ΔfG°	-3074.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-3678.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.06	kJ/mol	Joback Calculated Property
ΔvapH°	66.63	kJ/mol	Relay (1.0) Calculated Property
IE	10.64	eV	Relay (1.0) Calculated Property
log10WS	-7.51		Relay (1.0) Calculated Property
logPoct/wat	6.338		Crippen Calculated Property
McVol	242.110	ml/mol	McGowan Calculated Property
Pc	1080.64	kPa	Joback Calculated Property
Inp	[1036.00; 1036.00]
Inp	1036.00		NIST
Inp	1036.00		NIST
Tboil	470.34	K	Relay (1.0) Calculated Property
Tc	595.18	K	Relay (1.0) Calculated Property
Tfus	275.74	K	Relay (1.0) Calculated Property
Vc	0.965	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[707.52; 779.71]	J/mol×K	[561.57; 699.92]
Cp,gas	707.52	J/mol×K	561.57	Joback Calculated Property
Cp,gas	721.71	J/mol×K	584.63	Joback Calculated Property
Cp,gas	734.97	J/mol×K	607.69	Joback Calculated Property
Cp,gas	747.35	J/mol×K	630.75	Joback Calculated Property
Cp,gas	758.90	J/mol×K	653.80	Joback Calculated Property
Cp,gas	769.67	J/mol×K	676.86	Joback Calculated Property
Cp,gas	779.71	J/mol×K	699.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, 4-methyl-2-pentyl ester.

Sources

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

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