Chemical Properties of Pentadecafluorooctanoic acid, 2-methyloct-5-en-4-yl ester

InChI

InChI=1S/C17H15F15O2/c1-4-5-6-9(7-8(2)3)34-10(33)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h8-9H,4,7H2,1-3H3

InChI Key

RUTBYSRAPVHJGT-UHFFFAOYSA-N

Formula

C17H15F15O2

SMILES

CCC#CC(CC(C)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

536.28

• 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°	-2846.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-3380.17	kJ/mol	Joback Calculated Property
ΔfusH°	32.95	kJ/mol	Joback Calculated Property
ΔvapH°	42.64	kJ/mol	Joback Calculated Property
log10WS	-8.01		Crippen Calculated Property
logPoct/wat	6.732		Crippen Calculated Property
McVol	275.780	ml/mol	McGowan Calculated Property
Pc	995.13	kPa	Joback Calculated Property
Inp	[1244.00; 1244.00]
Inp	1244.00		NIST
Inp	1244.00		NIST
Tboil	639.21	K	Joback Calculated Property
Tc	791.77	K	Joback Calculated Property
Tfus	455.40	K	Joback Calculated Property
Vc	1.155	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[827.73; 898.05]	J/mol×K	[639.21; 791.77]
Cp,gas	827.73	J/mol×K	639.21	Joback Calculated Property
Cp,gas	841.66	J/mol×K	664.64	Joback Calculated Property
Cp,gas	854.61	J/mol×K	690.06	Joback Calculated Property
Cp,gas	866.66	J/mol×K	715.49	Joback Calculated Property
Cp,gas	877.87	J/mol×K	740.92	Joback Calculated Property
Cp,gas	888.31	J/mol×K	766.34	Joback Calculated Property
Cp,gas	898.05	J/mol×K	791.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, 2-methyloct-5-en-4-yl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.