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

InChI

InChI=1S/C12H19FO4/c1-10(2)6-8-16-11(14)4-3-5-12(15)17-9-7-13/h6H,3-5,7-9H2,1-2H3

InChI Key

MFKRYSSUOZZWSN-UHFFFAOYSA-N

Formula

C12H19FO4

SMILES

CC(C)=CCOC(=O)CCCC(=O)OCCF

Molecular Weight¹

246.28

• 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°	-540.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-869.29	kJ/mol	Joback Calculated Property
ΔfusH°	34.38	kJ/mol	Joback Calculated Property
ΔvapH°	59.84	kJ/mol	Joback Calculated Property
log10WS	-2.28		Crippen Calculated Property
logPoct/wat	2.179		Crippen Calculated Property
McVol	192.290	ml/mol	McGowan Calculated Property
Pc	1947.51	kPa	Joback Calculated Property
Inp	[1622.00; 1622.00]
Inp	1622.00		NIST
Inp	1622.00		NIST
Tboil	629.85	K	Joback Calculated Property
Tc	809.01	K	Joback Calculated Property
Tfus	350.87	K	Joback Calculated Property
Vc	0.754	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[502.83; 575.48]	J/mol×K	[629.85; 809.01]
Cp,gas	502.83	J/mol×K	629.85	Joback Calculated Property
Cp,gas	516.49	J/mol×K	659.71	Joback Calculated Property
Cp,gas	529.52	J/mol×K	689.57	Joback Calculated Property
Cp,gas	541.93	J/mol×K	719.43	Joback Calculated Property
Cp,gas	553.71	J/mol×K	749.29	Joback Calculated Property
Cp,gas	564.89	J/mol×K	779.15	Joback Calculated Property
Cp,gas	575.48	J/mol×K	809.01	Joback Calculated Property

Similar Compounds

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

Sources

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

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