Chemical Properties of Propargyl alcohol, pentafluoropropionate

InChI

InChI=1S/C6H3F5O2/c1-2-3-13-4(12)5(7,8)6(9,10)11/h1H,3H2

InChI Key

XUOASYRZIYWGOG-UHFFFAOYSA-N

Formula

C6H3F5O2

SMILES

C#CCOC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

202.08

• 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°	-979.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1118.12	kJ/mol	Joback Calculated Property
ΔfusH°	17.63	kJ/mol	Joback Calculated Property
ΔvapH°	31.29	kJ/mol	Joback Calculated Property
log10WS	-1.97		Crippen Calculated Property
logPoct/wat	1.360		Crippen Calculated Property
McVol	103.090	ml/mol	McGowan Calculated Property
Pc	3131.49	kPa	Joback Calculated Property
Inp	[716.10; 716.10]
Inp	716.10		NIST
Inp	716.10		NIST
Tboil	392.98	K	Joback Calculated Property
Tc	557.86	K	Joback Calculated Property
Tfus	284.30	K	Joback Calculated Property
Vc	0.425	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.91; 263.09]	J/mol×K	[392.98; 557.86]
Cp,gas	219.91	J/mol×K	392.98	Joback Calculated Property
Cp,gas	228.39	J/mol×K	420.46	Joback Calculated Property
Cp,gas	236.32	J/mol×K	447.94	Joback Calculated Property
Cp,gas	243.73	J/mol×K	475.42	Joback Calculated Property
Cp,gas	250.65	J/mol×K	502.90	Joback Calculated Property
Cp,gas	257.09	J/mol×K	530.38	Joback Calculated Property
Cp,gas	263.09	J/mol×K	557.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propargyl alcohol, pentafluoropropionate.

Sources

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

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