Chemical Properties of Glutaric acid, tridec-2-yn-1-yl 2-fluoro-3-trifluoromethylphenyl ester

InChI

InChI=1S/C25H32F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-19-32-22(30)17-14-18-23(31)33-21-16-13-15-20(24(21)26)25(27,28)29/h13,15-16H,2-10,14,17-19H2,1H3

InChI Key

MXQVHQHGTHJDIZ-UHFFFAOYSA-N

Formula

C25H32F4O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

472.51

• 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°	-788.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-1356.23	kJ/mol	Joback Calculated Property
ΔfusH°	67.37	kJ/mol	Joback Calculated Property
ΔvapH°	90.74	kJ/mol	Joback Calculated Property
log10WS	-8.58		Crippen Calculated Property
logPoct/wat	6.998		Crippen Calculated Property
McVol	352.710	ml/mol	McGowan Calculated Property
Pc	960.88	kPa	Joback Calculated Property
Inp	[2817.00; 2817.00]
Inp	2817.00		NIST
Inp	2817.00		NIST
Tboil	963.47	K	Joback Calculated Property
Tc	1179.69	K	Joback Calculated Property
Tfus	678.17	K	Joback Calculated Property
Vc	1.399	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1152.65; 1226.32]	J/mol×K	[963.47; 1179.69]
Cp,gas	1152.65	J/mol×K	963.47	Joback Calculated Property
Cp,gas	1167.96	J/mol×K	999.51	Joback Calculated Property
Cp,gas	1181.98	J/mol×K	1035.54	Joback Calculated Property
Cp,gas	1194.77	J/mol×K	1071.58	Joback Calculated Property
Cp,gas	1206.38	J/mol×K	1107.62	Joback Calculated Property
Cp,gas	1216.88	J/mol×K	1143.65	Joback Calculated Property
Cp,gas	1226.32	J/mol×K	1179.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

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

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