Chemical Properties of Acetic acid, 2,2,3,4,4,4-hexafluorobutyl ester

InChI

InChI=1S/C6H6F6O2/c1-3(13)14-2-5(8,9)4(7)6(10,11)12/h4H,2H2,1H3

InChI Key

HBRIAAIICOEFEL-UHFFFAOYSA-N

Formula

C6H6F6O2

SMILES

CC(=O)OCC(F)(F)C(F)C(F)(F)F

Molecular Weight¹

224.10

• 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°	-1399.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-1611.41	kJ/mol	Joback Calculated Property
ΔfusH°	14.21	kJ/mol	Joback Calculated Property
ΔvapH°	30.22	kJ/mol	Joback Calculated Property
log10WS	-2.14		Crippen Calculated Property
logPoct/wat	2.085		Crippen Calculated Property
McVol	113.460	ml/mol	McGowan Calculated Property
Pc	2571.50	kPa	Joback Calculated Property
Inp	[721.00; 721.00]
Inp	721.00		NIST
Inp	721.00		NIST
Tboil	401.69	K	Joback Calculated Property
Tc	551.91	K	Joback Calculated Property
Tfus	222.92	K	Joback Calculated Property
Vc	0.475	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[253.45; 304.62]	J/mol×K	[401.69; 551.91]
Cp,gas	253.45	J/mol×K	401.69	Joback Calculated Property
Cp,gas	263.16	J/mol×K	426.73	Joback Calculated Property
Cp,gas	272.38	J/mol×K	451.76	Joback Calculated Property
Cp,gas	281.12	J/mol×K	476.80	Joback Calculated Property
Cp,gas	289.39	J/mol×K	501.83	Joback Calculated Property
Cp,gas	297.22	J/mol×K	526.87	Joback Calculated Property
Cp,gas	304.62	J/mol×K	551.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, 2,2,3,4,4,4-hexafluorobutyl ester.

Sources

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

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