Chemical Properties of Glutaric acid, 2-fluorophenyl 3,7-dimethyloctyl ester

InChI

InChI=1S/C21H31FO4/c1-16(2)8-6-9-17(3)14-15-25-20(23)12-7-13-21(24)26-19-11-5-4-10-18(19)22/h4-5,10-11,16-17H,6-9,12-15H2,1-3H3

InChI Key

FTYWCPPATJBINN-UHFFFAOYSA-N

Formula

C21H31FO4

SMILES

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

Molecular Weight¹

366.47

• 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	0.9416		Relay (... Calculated Property
ΔfG°	-438.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1071.61	kJ/mol	Relay (... Calculated Property
ΔfusH°	45.41	kJ/mol	Joback Calculated Property
ΔvapH°	102.54	kJ/mol	Relay (... Calculated Property
IE	8.62	eV	Relay (... Calculated Property
log10WS	-5.55		Relay (... Calculated Property
logPoct/wat	5.297		Crippen Calculated Property
McVol	299.640	ml/mol	McGowan Calculated Property
Pc	1226.84	kPa	Joback Calculated Property
Inp	[2458.00; 2458.00]
Inp	2458.00		NIST
Inp	2458.00		NIST
Tboil	633.79	K	Relay (... Calculated Property
Tc	826.52	K	Relay (... Calculated Property
Tfus	290.69	K	Relay (... Calculated Property
Vc	1.094	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[945.43; 1025.00]	J/mol×K	[862.51; 1063.10]
Cp,gas	945.43	J/mol×K	862.51	Joback Calculated Property
Cp,gas	961.59	J/mol×K	895.94	Joback Calculated Property
Cp,gas	976.55	J/mol×K	929.37	Joback Calculated Property
Cp,gas	990.35	J/mol×K	962.81	Joback Calculated Property
Cp,gas	1003.00	J/mol×K	996.24	Joback Calculated Property
Cp,gas	1014.54	J/mol×K	1029.67	Joback Calculated Property
Cp,gas	1025.00	J/mol×K	1063.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-fluorophenyl 3,7-dimethyloctyl ester.

Sources

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

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