Chemical Properties of 2-Hydroxyethyl 2,2,3,3,4,4,4-heptafluorobutanoate

InChI

InChI=1S/C6H5F7O3/c7-4(8,3(15)16-2-1-14)5(9,10)6(11,12)13/h14H,1-2H2

InChI Key

YXNNHFIKNIKAAE-UHFFFAOYSA-N

Formula

C6H5F7O3

SMILES

O=C(OCCO)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

258.09

Other Names

• Ethylene glycol, mono(heptafluorobutyrate)
• 2-Hydroxyethyl 2,2,3,3,4,4,4-heptafluoroabutanoate

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6841		Relay (1.0) Calculated Property
ΔfG°	-1726.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-2048.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.49	kJ/mol	Joback Calculated Property
ΔvapH°	59.92	kJ/mol	Relay (1.0) Calculated Property
IE	11.27	eV	Relay (1.0) Calculated Property
log10WS	-2.25		Relay (1.0) Calculated Property
logPoct/wat	1.355		Crippen Calculated Property
McVol	121.100	ml/mol	McGowan Calculated Property
Pc	2729.71	kPa	Joback Calculated Property
Inp	[829.10; 829.10]
Inp	829.10		NIST
Inp	829.10		NIST
Tboil	420.27	K	Relay (1.0) Calculated Property
Tc	558.66	K	Relay (1.0) Calculated Property
Tfus	233.26	K	Relay (1.0) Calculated Property
Vc	0.455	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[314.05; 356.26]	J/mol×K	[490.35; 637.41]
Cp,gas	314.05	J/mol×K	490.35	Joback Calculated Property
Cp,gas	322.30	J/mol×K	514.86	Joback Calculated Property
Cp,gas	330.03	J/mol×K	539.37	Joback Calculated Property
Cp,gas	337.27	J/mol×K	563.88	Joback Calculated Property
Cp,gas	344.04	J/mol×K	588.39	Joback Calculated Property
Cp,gas	350.36	J/mol×K	612.90	Joback Calculated Property
Cp,gas	356.26	J/mol×K	637.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxyethyl 2,2,3,3,4,4,4-heptafluorobutanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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