Chemical Properties of Glutaric acid, 2-fluorophenyl 2,4-dimethylpent-3-yl ester

InChI

InChI=1S/C18H25FO4/c1-12(2)18(13(3)4)23-17(21)11-7-10-16(20)22-15-9-6-5-8-14(15)19/h5-6,8-9,12-13,18H,7,10-11H2,1-4H3

InChI Key

ZSINCUDCTJHJEN-UHFFFAOYSA-N

Formula

C18H25FO4

SMILES

CC(C)C(OC(=O)CCCC(=O)Oc1ccccc1F)C(C)C

Molecular Weight¹

324.39

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7990		Relay (... Calculated Property
ΔfG°	-466.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1002.97	kJ/mol	Relay (... Calculated Property
ΔfusH°	34.11	kJ/mol	Joback Calculated Property
ΔvapH°	88.98	kJ/mol	Relay (... Calculated Property
IE	8.68	eV	Relay (... Calculated Property
log10WS	-4.24		Relay (... Calculated Property
logPoct/wat	4.125		Crippen Calculated Property
McVol	257.370	ml/mol	McGowan Calculated Property
Pc	1527.07	kPa	Joback Calculated Property
Inp	[2082.00; 2082.00]
Inp	2082.00		NIST
Inp	2082.00		NIST
Tboil	602.16	K	Relay (... Calculated Property
Tc	801.98	K	Relay (... Calculated Property
Tfus	304.57	K	Relay (... Calculated Property
Vc	0.923	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[770.41; 848.54]	J/mol×K	[793.43; 994.60]
Cp,gas	770.41	J/mol×K	793.43	Joback Calculated Property
Cp,gas	786.11	J/mol×K	826.96	Joback Calculated Property
Cp,gas	800.72	J/mol×K	860.49	Joback Calculated Property
Cp,gas	814.25	J/mol×K	894.02	Joback Calculated Property
Cp,gas	826.72	J/mol×K	927.55	Joback Calculated Property
Cp,gas	838.14	J/mol×K	961.07	Joback Calculated Property
Cp,gas	848.54	J/mol×K	994.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-fluorophenyl 2,4-dimethylpent-3-yl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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