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

InChI

InChI=1S/C11H13BrF8O2/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

DWUJWKXBFFVPBY-UHFFFAOYSA-N

Formula

C11H13BrF8O2

SMILES

O=C(CCCCCBr)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

409.11

• 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°	-1730.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-2089.25	kJ/mol	Joback Calculated Property
ΔfusH°	31.19	kJ/mol	Joback Calculated Property
ΔvapH°	44.86	kJ/mol	Joback Calculated Property
log10WS	-4.98		Crippen Calculated Property
logPoct/wat	4.656		Crippen Calculated Property
McVol	204.950	ml/mol	McGowan Calculated Property
Pc	1660.55	kPa	Joback Calculated Property
Inp	[1507.00; 1507.00]
Inp	1507.00		NIST
Inp	1507.00		NIST
Tboil	577.56	K	Joback Calculated Property
Tc	734.87	K	Joback Calculated Property
Tfus	342.67	K	Joback Calculated Property
Vc	0.843	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[537.04; 599.55]	J/mol×K	[577.56; 734.87]
Cp,gas	537.04	J/mol×K	577.56	Joback Calculated Property
Cp,gas	549.16	J/mol×K	603.78	Joback Calculated Property
Cp,gas	560.55	J/mol×K	630.00	Joback Calculated Property
Cp,gas	571.25	J/mol×K	656.21	Joback Calculated Property
Cp,gas	581.28	J/mol×K	682.43	Joback Calculated Property
Cp,gas	590.71	J/mol×K	708.65	Joback Calculated Property
Cp,gas	599.55	J/mol×K	734.87	Joback Calculated Property

Similar Compounds

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

Sources

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

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