Chemical Properties of 2-(5-Methyl-5-vinyltetrahydrofuran-2-yl)propan-2-yl 2,3,4,5,6-pentafluorobenzoate

InChI

InChI=1S/C17H17F5O3/c1-5-17(4)7-6-8(24-17)16(2,3)25-15(23)9-10(18)12(20)14(22)13(21)11(9)19/h5,8H,1,6-7H2,2-4H3

InChI Key

LXPIGNHRJUAYHQ-UHFFFAOYSA-N

Formula

C17H17F5O3

SMILES

C=CC1(C)CCC(C(C)(C)OC(=O)c2c(F)c(F)c(F)c(F)c2F)O1

Molecular Weight¹

364.31

• 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°	-1023.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-1400.32	kJ/mol	Joback Calculated Property
ΔfusH°	38.06	kJ/mol	Joback Calculated Property
ΔvapH°	65.43	kJ/mol	Joback Calculated Property
log10WS	-6.31		Crippen Calculated Property
logPoct/wat	4.441		Crippen Calculated Property
McVol	233.630	ml/mol	McGowan Calculated Property
Pc	1563.52	kPa	Joback Calculated Property
Inp	[1667.00; 1667.00]
Inp	1667.00		NIST
Inp	1667.00		NIST
Tboil	743.83	K	Joback Calculated Property
Tc	942.85	K	Joback Calculated Property
Tfus	503.27	K	Joback Calculated Property
Vc	0.922	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[690.88; 773.54]	J/mol×K	[743.83; 942.85]
Cp,gas	690.88	J/mol×K	743.83	Joback Calculated Property
Cp,gas	705.95	J/mol×K	777.00	Joback Calculated Property
Cp,gas	720.37	J/mol×K	810.17	Joback Calculated Property
Cp,gas	734.25	J/mol×K	843.34	Joback Calculated Property
Cp,gas	747.66	J/mol×K	876.51	Joback Calculated Property
Cp,gas	760.73	J/mol×K	909.68	Joback Calculated Property
Cp,gas	773.54	J/mol×K	942.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(5-Methyl-5-vinyltetrahydrofuran-2-yl)propan-2-yl 2,3,4,5,6-pentafluorobenzoate.

Sources

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

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