Chemical Properties of Glutaric acid, 2-methylpent-3-yl 3-fluorophenyl ester

InChI

InChI=1S/C17H23FO4/c1-4-15(12(2)3)22-17(20)10-6-9-16(19)21-14-8-5-7-13(18)11-14/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3

InChI Key

SKRJFJRKCGFYEN-UHFFFAOYSA-N

Formula

C17H23FO4

SMILES

CCC(OC(=O)CCCC(=O)Oc1cccc(F)c1)C(C)C

Molecular Weight¹

310.36

• 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°	-472.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-865.42	kJ/mol	Joback Calculated Property
ΔfusH°	35.05	kJ/mol	Joback Calculated Property
ΔvapH°	73.09	kJ/mol	Joback Calculated Property
log10WS	-4.62		Crippen Calculated Property
logPoct/wat	3.879		Crippen Calculated Property
McVol	243.280	ml/mol	McGowan Calculated Property
Pc	1637.78	kPa	Joback Calculated Property
Inp	[1986.00; 1986.00]
Inp	1986.00		NIST
Inp	1986.00		NIST
Tboil	770.99	K	Joback Calculated Property
Tc	970.54	K	Joback Calculated Property
Tfus	435.20	K	Joback Calculated Property
Vc	0.933	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[713.08; 789.66]	J/mol×K	[770.99; 970.54]
Cp,gas	713.08	J/mol×K	770.99	Joback Calculated Property
Cp,gas	728.35	J/mol×K	804.25	Joback Calculated Property
Cp,gas	742.60	J/mol×K	837.51	Joback Calculated Property
Cp,gas	755.84	J/mol×K	870.76	Joback Calculated Property
Cp,gas	768.09	J/mol×K	904.02	Joback Calculated Property
Cp,gas	779.35	J/mol×K	937.28	Joback Calculated Property
Cp,gas	789.66	J/mol×K	970.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylpent-3-yl 3-fluorophenyl ester.

Sources

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

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