Chemical Properties of 6-Chlorohexanoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C11H13ClF8O2/c12-5-3-1-2-4-7(21)22-6-9(15,16)11(19,20)10(17,18)8(13)14/h8H,1-6H2

InChI Key

HAVKFWBJGWWDNB-UHFFFAOYSA-N

Formula

C11H13ClF8O2

SMILES

O=C(CCCCCCl)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

364.66

• 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°	-1756.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-2131.32	kJ/mol	Joback Calculated Property
ΔfusH°	30.11	kJ/mol	Joback Calculated Property
ΔvapH°	42.81	kJ/mol	Joback Calculated Property
log10WS	-4.70		Crippen Calculated Property
logPoct/wat	4.500		Crippen Calculated Property
McVol	199.690	ml/mol	McGowan Calculated Property
Pc	1525.88	kPa	Joback Calculated Property
Inp	[1424.00; 1424.00]
Inp	1424.00		NIST
Inp	1424.00		NIST
Tboil	548.83	K	Joback Calculated Property
Tc	699.20	K	Joback Calculated Property
Tfus	312.79	K	Joback Calculated Property
Vc	0.830	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.55; 586.48]	J/mol×K	[548.83; 699.20]
Cp,gas	521.55	J/mol×K	548.83	Joback Calculated Property
Cp,gas	534.02	J/mol×K	573.89	Joback Calculated Property
Cp,gas	545.78	J/mol×K	598.95	Joback Calculated Property
Cp,gas	556.88	J/mol×K	624.01	Joback Calculated Property
Cp,gas	567.34	J/mol×K	649.07	Joback Calculated Property
Cp,gas	577.20	J/mol×K	674.14	Joback Calculated Property
Cp,gas	586.48	J/mol×K	699.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Chlorohexanoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 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.