Chemical Properties of Propargyl alcohol, heptafluorobutyrate

InChI

InChI=1S/C7H3F7O2/c1-2-3-16-4(15)5(8,9)6(10,11)7(12,13)14/h1H,3H2

InChI Key

SPKPBFWFVJVKJH-UHFFFAOYSA-N

Formula

C7H3F7O2

SMILES

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

Molecular Weight¹

252.09

• 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	0.3997		Relay (1.0) Calculated Property
ΔfG°	-1357.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-1624.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.97	kJ/mol	Joback Calculated Property
ΔvapH°	48.96	kJ/mol	Relay (1.0) Calculated Property
IE	11.04	eV	Relay (1.0) Calculated Property
log10WS	-3.49		Relay (1.0) Calculated Property
logPoct/wat	1.996		Crippen Calculated Property
McVol	120.720	ml/mol	McGowan Calculated Property
Pc	2619.09	kPa	Joback Calculated Property
Inp	[729.30; 729.30]
Inp	729.30		NIST
Inp	729.30		NIST
Tboil	385.84	K	Relay (1.0) Calculated Property
Tc	513.78	K	Relay (1.0) Calculated Property
Tfus	237.05	K	Relay (1.0) Calculated Property
Vc	0.430	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[275.69; 324.83]	J/mol×K	[411.17; 568.71]
Cp,gas	275.69	J/mol×K	411.17	Joback Calculated Property
Cp,gas	285.45	J/mol×K	437.43	Joback Calculated Property
Cp,gas	294.54	J/mol×K	463.68	Joback Calculated Property
Cp,gas	302.99	J/mol×K	489.94	Joback Calculated Property
Cp,gas	310.84	J/mol×K	516.20	Joback Calculated Property
Cp,gas	318.11	J/mol×K	542.45	Joback Calculated Property
Cp,gas	324.83	J/mol×K	568.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propargyl alcohol, heptafluorobutyrate.

Sources

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

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