Chemical Properties of Pentadecafluorooctanoic acid, 3-methylbut-2-en-1-yl ester

InChI

InChI=1S/C13H9F15O2/c1-5(2)3-4-30-6(29)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h3H,4H2,1-2H3

InChI Key

BXNSQBSBFPIMEZ-UHFFFAOYSA-N

Formula

C13H9F15O2

SMILES

CC(C)=CCOC(=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

482.19

• 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°	-3005.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-3451.92	kJ/mol	Joback Calculated Property
ΔfusH°	25.41	kJ/mol	Joback Calculated Property
ΔvapH°	32.40	kJ/mol	Joback Calculated Property
log10WS	-6.53		Crippen Calculated Property
logPoct/wat	5.870		Crippen Calculated Property
McVol	223.720	ml/mol	McGowan Calculated Property
Pc	1184.97	kPa	Joback Calculated Property
Inp	[1131.00; 1131.00]
Inp	1131.00		NIST
Inp	1131.00		NIST
Tboil	543.61	K	Joback Calculated Property
Tc	682.52	K	Joback Calculated Property
Tfus	315.18	K	Joback Calculated Property
Vc	0.962	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[637.62; 703.66]	J/mol×K	[543.61; 682.52]
Cp,gas	637.62	J/mol×K	543.61	Joback Calculated Property
Cp,gas	650.78	J/mol×K	566.76	Joback Calculated Property
Cp,gas	663.01	J/mol×K	589.91	Joback Calculated Property
Cp,gas	674.36	J/mol×K	613.07	Joback Calculated Property
Cp,gas	684.89	J/mol×K	636.22	Joback Calculated Property
Cp,gas	694.63	J/mol×K	659.37	Joback Calculated Property
Cp,gas	703.66	J/mol×K	682.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, 3-methylbut-2-en-1-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.