Chemical Properties of Glutaric acid, hex-4-yn-3-yl 2-fluoro-3-trifluoromethylphenyl ester

InChI

InChI=1S/C18H18F4O4/c1-3-7-12(4-2)25-15(23)10-6-11-16(24)26-14-9-5-8-13(17(14)19)18(20,21)22/h5,8-9,12H,4,6,10-11H2,1-2H3

InChI Key

SWDBXIPYSSCTIM-UHFFFAOYSA-N

Formula

C18H18F4O4

SMILES

CC#CC(CC)OC(=O)CCCC(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

374.33

• 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°	-850.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1217.03	kJ/mol	Joback Calculated Property
ΔfusH°	45.72	kJ/mol	Joback Calculated Property
ΔvapH°	74.77	kJ/mol	Joback Calculated Property
log10WS	-5.76		Crippen Calculated Property
logPoct/wat	4.265		Crippen Calculated Property
McVol	254.080	ml/mol	McGowan Calculated Property
Pc	1542.71	kPa	Joback Calculated Property
Inp	[2037.00; 2037.00]
Inp	2037.00		NIST
Inp	2037.00		NIST
Tboil	802.87	K	Joback Calculated Property
Tc	1003.74	K	Joback Calculated Property
Tfus	584.28	K	Joback Calculated Property
Vc	1.000	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[742.77; 808.50]	J/mol×K	[802.87; 1003.74]
Cp,gas	742.77	J/mol×K	802.87	Joback Calculated Property
Cp,gas	756.05	J/mol×K	836.35	Joback Calculated Property
Cp,gas	768.36	J/mol×K	869.83	Joback Calculated Property
Cp,gas	779.73	J/mol×K	903.30	Joback Calculated Property
Cp,gas	790.19	J/mol×K	936.78	Joback Calculated Property
Cp,gas	799.77	J/mol×K	970.26	Joback Calculated Property
Cp,gas	808.50	J/mol×K	1003.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

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

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