Chemical Properties of 3-Buten-1-ol, heptafluorobutyrate

InChI

InChI=1S/C8H7F7O2/c1-2-3-4-17-5(16)6(9,10)7(11,12)8(13,14)15/h2H,1,3-4H2

InChI Key

ZJZGWTZMUUCZDJ-UHFFFAOYSA-N

Formula

C8H7F7O2

SMILES

C=CCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

268.13

• 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	0.4514		Relay (1.0) Calculated Property
ΔfG°	-1484.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1812.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.30	kJ/mol	Joback Calculated Property
ΔvapH°	47.19	kJ/mol	Relay (1.0) Calculated Property
IE	10.72	eV	Relay (1.0) Calculated Property
log10WS	-3.57		Relay (1.0) Calculated Property
logPoct/wat	2.939		Crippen Calculated Property
McVol	139.110	ml/mol	McGowan Calculated Property
Pc	2151.31	kPa	Joback Calculated Property
Inp	[760.20; 760.20]
Inp	760.20		NIST
Inp	760.20		NIST
Tboil	393.90	K	Relay (1.0) Calculated Property
Tc	518.38	K	Relay (1.0) Calculated Property
Tfus	196.48	K	Relay (1.0) Calculated Property
Vc	0.503	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[328.46; 386.24]	J/mol×K	[440.61; 591.39]
Cp,gas	328.46	J/mol×K	440.61	Joback Calculated Property
Cp,gas	339.66	J/mol×K	465.74	Joback Calculated Property
Cp,gas	350.19	J/mol×K	490.87	Joback Calculated Property
Cp,gas	360.09	J/mol×K	516.00	Joback Calculated Property
Cp,gas	369.38	J/mol×K	541.13	Joback Calculated Property
Cp,gas	378.08	J/mol×K	566.26	Joback Calculated Property
Cp,gas	386.24	J/mol×K	591.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Buten-1-ol, heptafluorobutyrate.

Sources

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

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