Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C16H17F3O4/c1-10(2)8-9-22-13(20)4-3-5-14(21)23-12-7-6-11(17)15(18)16(12)19/h6-8H,3-5,9H2,1-2H3

InChI Key

IXZFVCFAKHRGFF-UHFFFAOYSA-N

Formula

C16H17F3O4

SMILES

CC(C)=CCOC(=O)CCCC(=O)Oc1ccc(F)c(F)c1F

Molecular Weight¹

330.30

• 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°	-813.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-1141.95	kJ/mol	Joback Calculated Property
ΔfusH°	43.78	kJ/mol	Joback Calculated Property
ΔvapH°	71.37	kJ/mol	Joback Calculated Property
log10WS	-4.85		Crippen Calculated Property
logPoct/wat	3.689		Crippen Calculated Property
McVol	228.430	ml/mol	McGowan Calculated Property
Pc	1660.55	kPa	Joback Calculated Property
Inp	[1991.00; 1991.00]
Inp	1991.00		NIST
Inp	1991.00		NIST
Tboil	761.53	K	Joback Calculated Property
Tc	954.45	K	Joback Calculated Property
Tfus	461.11	K	Joback Calculated Property
Vc	0.906	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[644.81; 710.91]	J/mol×K	[761.53; 954.45]
Cp,gas	644.81	J/mol×K	761.53	Joback Calculated Property
Cp,gas	657.80	J/mol×K	793.68	Joback Calculated Property
Cp,gas	669.98	J/mol×K	825.84	Joback Calculated Property
Cp,gas	681.37	J/mol×K	857.99	Joback Calculated Property
Cp,gas	691.98	J/mol×K	890.14	Joback Calculated Property
Cp,gas	701.82	J/mol×K	922.30	Joback Calculated Property
Cp,gas	710.91	J/mol×K	954.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 2,3,4-trifluorophenyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.