Chemical Properties of Heptadecafluorononanoic acid, propyl ester

InChI

InChI=1S/C12H7F17O2/c1-2-3-31-4(30)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2-3H2,1H3

InChI Key

WYUJXBVCEHNYGY-UHFFFAOYSA-N

Formula

C12H7F17O2

SMILES

CCCOC(=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

506.16

• 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°	-3472.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-3939.68	kJ/mol	Joback Calculated Property
ΔfusH°	22.67	kJ/mol	Joback Calculated Property
ΔvapH°	27.21	kJ/mol	Joback Calculated Property
log10WS	-6.57		Crippen Calculated Property
logPoct/wat	5.949		Crippen Calculated Property
McVol	217.470	ml/mol	McGowan Calculated Property
Pc	1159.29	kPa	Joback Calculated Property
Inp	[920.00; 920.00]
Inp	920.00		NIST
Inp	920.00		NIST
Tboil	512.00	K	Joback Calculated Property
Tc	640.81	K	Joback Calculated Property
Tfus	326.55	K	Joback Calculated Property
Vc	0.950	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[624.34; 690.93]	J/mol×K	[512.00; 640.81]
Cp,gas	624.34	J/mol×K	512.00	Joback Calculated Property
Cp,gas	637.53	J/mol×K	533.47	Joback Calculated Property
Cp,gas	649.82	J/mol×K	554.94	Joback Calculated Property
Cp,gas	661.27	J/mol×K	576.41	Joback Calculated Property
Cp,gas	671.91	J/mol×K	597.88	Joback Calculated Property
Cp,gas	681.78	J/mol×K	619.34	Joback Calculated Property
Cp,gas	690.93	J/mol×K	640.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Heptadecafluorononanoic acid, propyl 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.